<?xml version="1.0" encoding="UTF-8"?>
<emd emdb_id="EMD-6364" version="3.0.1.9">
    <admin>
        <status_history_list>
            <status status_id="1">
                <code>HPUB</code>
            </status>
        </status_history_list>
        <current_status>
            <code>OBS</code>
            <processing_site>PDBj</processing_site>
        </current_status>
        <sites>
            <deposition>RCSB</deposition>
            <last_processing>PDBj</last_processing>
        </sites>
        <key_dates>
            <deposition>2015-06-24</deposition>
            <header_release>2015-11-25</header_release>
            <obsolete>2016-06-15</obsolete>
            <update>2016-06-15</update>
        </key_dates>
        <title>The cryoEM map of EV71 empty particle in complex with the Fab fragment of antibody D5</title>
        <authors_list>
            <author>Fan C</author>
            <author>Ye XH</author>
            <author>Ku ZQ</author>
            <author>Zuo T</author>
            <author>Kong LL</author>
            <author>Zhang C</author>
            <author>Shi JP</author>
            <author>Liu QW</author>
            <author>Chen T</author>
            <author>Zhang YY</author>
            <author>Jiang W</author>
            <author>Zhang LQ</author>
            <author>Huang Z</author>
            <author>Cong Y</author>
        </authors_list>
        <keywords>Enterovirus 71(EV71), virus-antibody complex, bivalent binding, high resolution cryo-EM</keywords>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="false">
                    <author order="1">Ye XH</author>
                    <author order="2">Fan C</author>
                    <author order="3">Ku ZQ</author>
                    <author order="4">Zuo T</author>
                    <author order="5">Kong LL</author>
                    <author order="6">Zhang C</author>
                    <author order="7">Shi JP</author>
                    <author order="8">Liu QW</author>
                    <author order="9">Chen T</author>
                    <author order="10">Zhang YY</author>
                    <author order="11">Jiang W</author>
                    <author order="12">Zhang LQ</author>
                    <author order="13">Huang Z</author>
                    <author order="14">Cong Y</author>
                    <title>Structural basis for recognition of human enterovirus 71 by a bivalent broadly neutralizing monoclonal antibody</title>
                    <journal>To Be Published</journal>
                </journal_citation>
            </primary_citation>
        </citation_list>
    </crossreferences>
    <sample>
        <name>EV71 empty particle in complex with the Fab fragment of antibody D5</name>
        <supramolecule_list>
            <sample_supramolecule supramolecule_id="1000">
                <name>EV71 empty particle in complex with the Fab fragment of antibody D5</name>
                <oligomeric_state>One fab fragment of antibody D5 bind to one protomer of EV71</oligomeric_state>
                <number_unique_components>2</number_unique_components>
                <molecular_weight>
                    <theoretical units="MDa">8</theoretical>
                </molecular_weight>
            </sample_supramolecule>
            <virus_supramolecule supramolecule_id="1">
                <name>Human enterovirus 71</name>
                <details>EV71 empty particle in complex with the Fab fragment of antibody D5</details>
                <sci_species_name ncbi="39054">Human enterovirus 71</sci_species_name>
                <sci_species_strain>G082</sci_species_strain>
                <natural_host database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                    <synonym_organism>VERTEBRATES</synonym_organism>
                </natural_host>
                <host_system database="NCBI"/>
                <molecular_weight>
                    <theoretical units="MDa">5</theoretical>
                </molecular_weight>
                <virus_shell shell_id="1">
                    <diameter units="Å">300</diameter>
                    <triangulation>3</triangulation>
                </virus_shell>
                <virus_type>VIRION</virus_type>
                <virus_isolate>STRAIN</virus_isolate>
                <virus_enveloped>false</virus_enveloped>
                <virus_empty>true</virus_empty>
            </virus_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>antibody D5</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                    <synonym_organism>Human</synonym_organism>
                </natural_source>
                <recombinant_exp_flag>false</recombinant_exp_flag>
                <recombinant_expression database="NCBI"/>
                <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">
                    <concentration units="mg/mL">0.8</concentration>
                    <buffer>
                        <ph>7.4</ph>
                        <details>0.15 M phosphate buffered saline(PBS) buffer</details>
                    </buffer>
                    <staining>
                        <type>NEGATIVE</type>
                        <details>Grids were plunge-frozen into liquid ethane using a FEI Mark IV virtobot, after 2s blotting to remove extra sample.</details>
                    </staining>
                    <grid>
                        <details>200 mesh R1.2x1.3 Quantifoil Cu grid, glow discharged in air.</details>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <chamber_humidity units="percentage">100</chamber_humidity>
                        <chamber_temperature units="K">120</chamber_temperature>
                        <instrument>FEI VITROBOT MARK IV</instrument>
                        <details>Grids were plunge-frozen into liquid ethane using a FEI Mark IV virtobot, after 2s blotting to remove extra sample.</details>
                        <method>Blot for 2 seconds before plunging</method>
                    </vitrification>
                </single_particle_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <single_particle_microscopy microscopy_id="1">
                    <microscope>FEI TITAN 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>
                    <nominal_cs units="mm">0.005</nominal_cs>
                    <nominal_defocus_min units="µm">2.0</nominal_defocus_min>
                    <nominal_defocus_max units="µm">3.5</nominal_defocus_max>
                    <nominal_magnification>37000.0</nominal_magnification>
                    <specimen_holder_model>FEI TITAN KRIOS AUTOGRID HOLDER</specimen_holder_model>
                    <temperature>
                        <temperature_min units="K">90</temperature_min>
                        <temperature_max units="K">92</temperature_max>
                        <temperature_average units="K">91</temperature_average>
                    </temperature>
                    <alignment_procedure>
                        <legacy>
                            <astigmatism>Objective lens astigmatism was corrected at 75000 magnification</astigmatism>
                            <electron_beam_tilt_params>0</electron_beam_tilt_params>
                        </legacy>
                    </alignment_procedure>
                    <date>2014-10-15</date>
                    <image_recording_list>
                        <image_recording>
                            <film_or_detector_model category="CCD">FEI FALCON II (4k x 4k)</film_or_detector_model>
                            <number_real_images>320</number_real_images>
                            <average_electron_dose_per_image units="e/Å^2">16</average_electron_dose_per_image>
                        </image_recording>
                    </image_recording_list>
                </single_particle_microscopy>
            </microscopy_list>
            <singleparticle_processing image_processing_id="1">
                <details>The particles were boxed using e2boxer.py. CTF fitting was automatically performed using fitctf2.py in jspr, then visually validated and adjusted using EMAN1.9 ctfit program. The gold standard 3D reconstruction procedure was followed using jspr package, with the datasets split into two halves in the beginning.</details>
                <ctf_correction>
                    <details>Each particle</details>
                </ctf_correction>
                <final_reconstruction>
                    <algorithm>OTHER</algorithm>
                    <resolution units="Å" res_type="BY AUTHOR">6.0</resolution>
                    <resolution_method>OTHER</resolution_method>
                    <software_list>
                        <software>
                            <name>jspr, EMAN, EMAN2</name>
                        </software>
                    </software_list>
                    <number_images_used>1303</number_images_used>
                </final_reconstruction>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
    <map format="CCP4" size_kbytes="128001">
        <file>emd_6364.map.gz</file>
        <symmetry>
            <space_group>1</space_group>
        </symmetry>
        <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
        <dimensions>
            <col>320</col>
            <row>320</row>
            <sec>320</sec>
        </dimensions>
        <origin>
            <col>-160</col>
            <row>-160</row>
            <sec>-160</sec>
        </origin>
        <spacing>
            <x>320</x>
            <y>320</y>
            <z>320</z>
        </spacing>
        <cell>
            <a units="Å">572.8</a>
            <b units="Å">572.8</b>
            <c units="Å">572.8</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>-1.22612703</minimum>
            <maximum>1.93103516</maximum>
            <average>0.02268821</average>
            <std>0.14356451</std>
        </statistics>
        <pixel_spacing>
            <x units="Å">1.79</x>
            <y units="Å">1.79</y>
            <z units="Å">1.79</z>
        </pixel_spacing>
        <contour_list>
            <contour primary="true">
                <level>0.5</level>
                <source>AUTHOR</source>
            </contour>
        </contour_list>
        <annotation_details>The cryoEM map of EV71 empty particle in complex with the Fab fragment of antibody D5</annotation_details>
        <details>::::EMDATABANK.org::::EMD-6364::::</details>
    </map>
    <interpretation>
        <modelling_list>
            <modelling>
                <initial_model>
                    <access_code>3VBU</access_code>
                    <chain>
                        <chain_id>C</chain_id>
                    </chain>
                </initial_model>
                <refinement_protocol>RIGID BODY FIT</refinement_protocol>
                <software_list>
                    <software>
                        <name>Chimera</name>
                    </software>
                </software_list>
                <refinement_space>REAL</refinement_space>
            </modelling>
        </modelling_list>
        <figure_list>
            <figure>
                <file>emd_6364.jpg</file>
            </figure>
        </figure_list>
    </interpretation>
</emd>
