<?xml version="1.0" encoding="UTF-8"?>
<emd xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="https://ftp.ebi.ac.uk/pub/databases/em_ebi/emdb_related/emdb-schemas/emdb_schemas/v3/v3_0_11_0/emdb.xsd" version="3.0.11.0" emdb_id="EMD-54173">
    <admin>
        <current_status>
            <date>2025-12-10</date>
            <code>REL</code>
            <processing_site>PDBe</processing_site>
        </current_status>
        <revision_history>
            <revision version="1.0" date="2025-12-10">
                <change_list>
                    <model>
                        <revision_type>INITIAL_RELEASE</revision_type>
                        <provider>REPOSITORY</provider>
                    </model>
                </change_list>
            </revision>
        </revision_history>
        <sites>
            <deposition>PDBe</deposition>
            <last_processing>PDBe</last_processing>
        </sites>
        <key_dates>
            <deposition>2025-06-25</deposition>
            <header_release>2025-12-10</header_release>
            <map_release>2025-12-10</map_release>
            <update>2025-12-10</update>
        </key_dates>
        <grant_support>
            <grant_reference>
                <funding_body>Medical Research Council (MRC, United Kingdom)</funding_body>
                <code>U-016275 IAA-CiC</code>
                <country>United Kingdom</country>
            </grant_reference>
            <grant_reference>
                <funding_body>Other private</funding_body>
            </grant_reference>
        </grant_support>
        <title>Cryo-EM structure of Shigella flexneri LptDE dimer: closed-state unbound and open-state bound by Oekolampad phage RBP</title>
        <authors_list>
            <author>Dunbar E</author>
            <author>Basle A</author>
            <author>van den Berg B</author>
        </authors_list>
        <keywords>lipopolysaccharide transport, receptor-binding protein, outer membrane protein complex, beta-barrel, bacteriophage, MEMBRANE PROTEIN</keywords>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author order="1">Dunbar E</author>
                    <author ORCID="0009-0002-7030-1741" order="2">Clark R</author>
                    <author ORCID="0000-0002-4899-3086" order="3">Basle A</author>
                    <author order="4">Allyjaun S</author>
                    <author order="5">Newman H</author>
                    <author order="6">Hubbard J</author>
                    <author ORCID="0000-0002-3694-5044" order="7">Khalid S</author>
                    <author ORCID="0000-0003-1966-8804" order="8">van den Berg B</author>
                    <title>Small siphophage binding to an open state of the LptDE outer membrane lipopolysaccharide translocon.</title>
                    <journal_abbreviation>Proc.Natl.Acad.Sci.USA</journal_abbreviation>
                    <country>US</country>
                    <volume>122</volume>
                    <first_page>e2516650122</first_page>
                    <last_page>e2516650122</last_page>
                    <year>2025</year>
                    <external_references type="PUBMED">41296721</external_references>
                    <external_references type="DOI">doi:10.1073/pnas.2516650122</external_references>
                    <external_references type="ISSN">1091-6490</external_references>
                    <external_references type="CSD">0040</external_references>
                    <external_references type="ASTM">PNASA6</external_references>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <pdb_list>
            <pdb_reference>
                <pdb_id>9rpw</pdb_id>
                <relationship>
                    <in_frame>FULLOVERLAP</in_frame>
                </relationship>
            </pdb_reference>
        </pdb_list>
        <other_db_list>
            <db_reference>
                <db_name>EMDB</db_name>
                <accession_id>EMD-54173</accession_id>
                <content_type>associated EM volume</content_type>
                <details>Cryo-EM structure of Shigella flexneri LptDE dimer: closed-state unbound and open-state bound by Oekolampad phage RBP</details>
            </db_reference>
        </other_db_list>
    </crossreferences>
    <sample>
        <name>LptDE-RBP complex</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>LptDE-RBP complex</name>
                <parent>0</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>2</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>3</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="623">Shigella flexneri</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.0203</theoretical>
                </molecular_weight>
            </complex_supramolecule>
            <complex_supramolecule supramolecule_id="2">
                <name>LptDE</name>
                <parent>1</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>2</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="623">Shigella flexneri</organism>
                </natural_source>
            </complex_supramolecule>
            <complex_supramolecule supramolecule_id="3">
                <name>RBP</name>
                <parent>1</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>3</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="2851982">Escherichia phage Oekolampad</organism>
                </natural_source>
            </complex_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>LPS-assembly protein LptD</name>
                <natural_source database="NCBI">
                    <organism ncbi="623">Shigella flexneri</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.08974060199999999</theoretical>
                </molecular_weight>
                <number_of_copies>2</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MEKRIPTLLATMIATALYSQQGLAADLASQCMLGVPSYDRPLVQGDTNDLPVTINADHAKGDYPDDAVFTGSVDIMQGNS
RLQADEVQLHQKEAPGQPEPVRTVDALGNVHYDDNQVILKGPKGWANLNTKDTNVWEGDYQMVGRQGRGKADLMKQRGEN
RYTILDNGSFTSCLPGSDTWSVVGSEIIHDREEQVAEIWNARFKVGPVPIFYSPYLQLPVGDKRRSGFLIPNAKYTTTNY
FEFYLPYYWNIAPNMDATITPHYMHRRGNIMWENEFRYLSQAGAGLMELDYLPSDKVYEDEHPNDDSSRRWLFYWNHSGV
MDQVWRFNVDYTKVSDPSYFNDFDNKYGSSTDGYATQKFSVGYAVQNFNATVSTKQFQVFSEQNTSSYSAEPQLDVNYYQ
NDVGPFDTRIYGQAVHFVNTRDDMPEATRVHLEPTINLPLSNNWGSINTEAKFLATHYQQTNLDWYNSRNTTKLDESVNR
VMPQFKVDGKMVFERDMEMLAPGYTQTLEPRAQYLYVPYRDQSDIYNYDSSLLQSDYSGLFRDRTYGGLDRIASANQVTT
GVTSRIYDDAAVERFNISVGQIYYFTESRTGDDNITWENDDKTGSLVWAGDTYWRISERWGLRGGIQYDTRLDNVATSNS
SIEYRRDEDRLVQLNYHYASPEYIQATLPKYYSTAEQYKNGISQVGAVASRPIADRWSIVGAYYYDTNANKQADSMLGVQ
YSSCCYAIRVGYERKLNGWDNDKQHAVYDNAIGFNIELRGLSSNYGLGTQEMLRSNILPYQNTL</string>
                    <external_references type="UNIPROTKB">Q83SQ0</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="2">
                <name>LPS-assembly lipoprotein LptE</name>
                <natural_source database="NCBI">
                    <organism ncbi="623">Shigella flexneri</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.022206471000000002</theoretical>
                </molecular_weight>
                <number_of_copies>2</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MRYLATLLLSLAVLITAGCGWHLRDTTQVPSTMKVMILDSGDPNGPLSRAVRNQLRLNGVELLDKETTRKDVPSLRLGKV
SIAKDTASVFRNGQTAEYQMIMTVNATVLIPGRDIYPISAKVFRSFFDNPQMALAKDNEQDMIVKEMYDRAAEQLIRKLP
SIRAADIRSDEEQTSTTTDTPATPARVSTMLGNENLYFQ</string>
                    <external_references type="UNIPROTKB">Q83LX4</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="3">
                <name>Tail fiber protein</name>
                <natural_source database="NCBI">
                    <organism ncbi="2851982">Escherichia phage Oekolampad</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.035347891</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MGAGILIDYNDGRPRMEITAGLRAPSYCTSFNQRAQSNKTLTINTPLTAGSQVVVALTRPVEVIEVFDQTLVIPDPFYVT
SVTRNGNSGITLRGDDAYGAYSGLPQWAGVIMEVLPVGSRNAGLLVANSTDFTAISNVAKLMTCRYAKRVRVNGSMALPV
SGVPFARWDDGNVSVGFDGGSIIVRNASYGGIDDVAASVDMDLVIFNNTPPTPGTGITMTNNQNQVTFSTVNKPFVYDRT
INIGTSDQNIGNSLIQLSYTGALIQNNGGYNHVRMNGIRMAGNNVRVAKNRVIGNYSRQQFQMPGKNIAVPTPLLVIPNM
YHHHHHH</string>
                    <external_references type="UNIPROTKB">A0AAE8B389</external_references>
                </sequence>
            </protein_or_peptide>
        </macromolecule_list>
    </sample>
    <structure_determination_list>
        <structure_determination structure_determination_id="1">
            <method>singleParticle</method>
            <aggregation_state>particle</aggregation_state>
            <specimen_preparation_list>
                <single_particle_preparation preparation_id="1">
                    <buffer>
                        <ph>7.5</ph>
                        <component>
                            <concentration units="mM">10.0</concentration>
                            <formula>C8H18N2O4S</formula>
                            <name>HEPES</name>
                        </component>
                        <component>
                            <concentration units="mM">100.0</concentration>
                            <formula>NaCl</formula>
                            <name>sodium chloride</name>
                        </component>
                        <component>
                            <concentration units="(w/v) %">0.05</concentration>
                            <formula>C24H46O11</formula>
                            <name>DDM</name>
                        </component>
                        <details>10mM HEPES, pH7.5, 100mM NaCl, 0.05% (w/v) DDM</details>
                    </buffer>
                    <grid>
                        <model>Quantifoil R1.2/1.3</model>
                        <material>COPPER</material>
                        <mesh>200</mesh>
                        <pretreatment>
                            <type>GLOW DISCHARGE</type>
                            <time units="s">30</time>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <chamber_humidity units="percentage">100</chamber_humidity>
                        <chamber_temperature units="K">277.15</chamber_temperature>
                    </vitrification>
                </single_particle_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <single_particle_microscopy microscopy_id="1">
                    <microscope>TFS KRIOS</microscope>
                    <illumination_mode>FLOOD BEAM</illumination_mode>
                    <imaging_mode>BRIGHT FIELD</imaging_mode>
                    <electron_source>FIELD EMISSION GUN</electron_source>
                    <acceleration_voltage units="kV">300</acceleration_voltage>
                    <c2_aperture_diameter units="µm">50.0</c2_aperture_diameter>
                    <nominal_cs units="mm">2.7</nominal_cs>
                    <nominal_defocus_min units="µm">0.8</nominal_defocus_min>
                    <nominal_defocus_max units="µm">2.0</nominal_defocus_max>
                    <nominal_magnification>165000.0</nominal_magnification>
                    <image_recording_list>
                        <image_recording image_recording_id="1">
                            <film_or_detector_model>FEI FALCON IV (4k x 4k)</film_or_detector_model>
                            <number_grids_imaged>1</number_grids_imaged>
                            <number_real_images>10744</number_real_images>
                            <average_electron_dose_per_image units="e/Å^2">35.6</average_electron_dose_per_image>
                        </image_recording>
                    </image_recording_list>
                </single_particle_microscopy>
            </microscopy_list>
            <singleparticle_processing image_processing_id="1">
                <image_recording_id>1</image_recording_id>
                <particle_selection>
                    <number_selected>1902801</number_selected>
                </particle_selection>
                <ctf_correction>
                    <software_list>
                        <software>
                            <name>cryoSPARC</name>
                        </software>
                    </software_list>
                    <type>NONE</type>
                </ctf_correction>
                <startup_model type_of_model="NONE"/>
                <final_reconstruction>
                    <resolution units="Å" res_type="BY AUTHOR">3.2</resolution>
                    <resolution_method>FSC 0.143 CUT-OFF</resolution_method>
                    <software_list>
                        <software>
                            <name>cryoSPARC</name>
                        </software>
                    </software_list>
                    <number_images_used>55494</number_images_used>
                </final_reconstruction>
                <initial_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                </initial_angle_assignment>
                <final_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                </final_angle_assignment>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
    <map format="CCP4" size_kbytes="764412">
        <file>emd_54173.map.gz</file>
        <symmetry>
            <space_group>1</space_group>
        </symmetry>
        <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
        <dimensions>
            <col>576</col>
            <row>576</row>
            <sec>576</sec>
        </dimensions>
        <origin>
            <col>0</col>
            <row>0</row>
            <sec>0</sec>
        </origin>
        <spacing>
            <x>576</x>
            <y>576</y>
            <z>576</z>
        </spacing>
        <cell>
            <a units="Å">426.24</a>
            <b units="Å">426.24</b>
            <c units="Å">426.24</c>
            <alpha units="deg">90.0</alpha>
            <beta units="deg">90.0</beta>
            <gamma units="deg">90.0</gamma>
        </cell>
        <axis_order>
            <fast>X</fast>
            <medium>Y</medium>
            <slow>Z</slow>
        </axis_order>
        <statistics>
            <minimum>-0.24664672</minimum>
            <maximum>0.4837809</maximum>
            <average>0.0003376322</average>
            <std>0.008688047</std>
        </statistics>
        <pixel_spacing>
            <x units="Å">0.74</x>
            <y units="Å">0.74</y>
            <z units="Å">0.74</z>
        </pixel_spacing>
        <contour_list>
            <contour primary="true">
                <level>0.09</level>
                <source>AUTHOR</source>
            </contour>
        </contour_list>
        <label>::::EMDATABANK.org::::EMD-54173::::</label>
    </map>
    <interpretation>
        <modelling_list>
            <modelling>
                <initial_model>
                    <chain>
                        <source_name>AlphaFold</source_name>
                        <initial_model_type>in silico model</initial_model_type>
                    </chain>
                </initial_model>
                <refinement_protocol>RIGID BODY FIT</refinement_protocol>
            </modelling>
        </modelling_list>
        <segmentation_list>
            <segmentation>
                <file>emd_54173_msk_1.map</file>
            </segmentation>
        </segmentation_list>
        <half_map_list>
            <half_map format="CCP4" size_kbytes="764412">
                <file>emd_54173_half_map_2.map.gz</file>
                <symmetry>
                    <space_group>1</space_group>
                </symmetry>
                <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
                <dimensions>
                    <col>576</col>
                    <row>576</row>
                    <sec>576</sec>
                </dimensions>
                <origin>
                    <col>0</col>
                    <row>0</row>
                    <sec>0</sec>
                </origin>
                <spacing>
                    <x>576</x>
                    <y>576</y>
                    <z>576</z>
                </spacing>
                <cell>
                    <a units="Å">426.24</a>
                    <b units="Å">426.24</b>
                    <c units="Å">426.24</c>
                    <alpha units="deg">90.0</alpha>
                    <beta units="deg">90.0</beta>
                    <gamma units="deg">90.0</gamma>
                </cell>
                <axis_order>
                    <fast>X</fast>
                    <medium>Y</medium>
                    <slow>Z</slow>
                </axis_order>
                <statistics>
                    <minimum>-0.62781894</minimum>
                    <maximum>0.9216628</maximum>
                    <average>0.00032607102</average>
                    <std>0.06505388</std>
                </statistics>
                <pixel_spacing>
                    <x units="Å">0.74</x>
                    <y units="Å">0.74</y>
                    <z units="Å">0.74</z>
                </pixel_spacing>
                <contour_list>
                    <contour primary="true">
                        <source>AUTHOR</source>
                    </contour>
                </contour_list>
                <label>::::EMDATABANK.org::::EMD-54173::::</label>
            </half_map>
            <half_map format="CCP4" size_kbytes="764412">
                <file>emd_54173_half_map_1.map.gz</file>
                <symmetry>
                    <space_group>1</space_group>
                </symmetry>
                <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
                <dimensions>
                    <col>576</col>
                    <row>576</row>
                    <sec>576</sec>
                </dimensions>
                <origin>
                    <col>0</col>
                    <row>0</row>
                    <sec>0</sec>
                </origin>
                <spacing>
                    <x>576</x>
                    <y>576</y>
                    <z>576</z>
                </spacing>
                <cell>
                    <a units="Å">426.24</a>
                    <b units="Å">426.24</b>
                    <c units="Å">426.24</c>
                    <alpha units="deg">90.0</alpha>
                    <beta units="deg">90.0</beta>
                    <gamma units="deg">90.0</gamma>
                </cell>
                <axis_order>
                    <fast>X</fast>
                    <medium>Y</medium>
                    <slow>Z</slow>
                </axis_order>
                <statistics>
                    <minimum>-0.6455254</minimum>
                    <maximum>0.8078099</maximum>
                    <average>0.0003269286</average>
                    <std>0.0654551</std>
                </statistics>
                <pixel_spacing>
                    <x units="Å">0.74</x>
                    <y units="Å">0.74</y>
                    <z units="Å">0.74</z>
                </pixel_spacing>
                <contour_list>
                    <contour primary="true">
                        <source>AUTHOR</source>
                    </contour>
                </contour_list>
                <label>::::EMDATABANK.org::::EMD-54173::::</label>
            </half_map>
        </half_map_list>
    </interpretation>
</emd>
