<?xml version="1.0" encoding="UTF-8"?>
<emd xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="https://github.com/emdb-empiar/emdb-schemas/blob/master/v3/v3_0_1_4/emdb.xsd" emdb_id="EMD-0466" version="3.0.1.4">
    <admin>
        <current_status>
            <date>2019-05-01</date>
            <code>REL</code>
            <processing_site>RCSB</processing_site>
        </current_status>
        <sites>
            <deposition>RCSB</deposition>
            <last_processing>RCSB</last_processing>
        </sites>
        <key_dates>
            <deposition>2019-01-15</deposition>
            <header_release>2019-01-30</header_release>
            <map_release>2019-05-01</map_release>
            <update>2019-05-01</update>
        </key_dates>
        <title>HIV-1 Env State 2A</title>
        <authors_list>
            <author>Alsahafi N</author>
            <author>Bakouche N</author>
            <author>Kazemi M</author>
            <author>Richard J</author>
            <author>Ding S</author>
            <author>Bhattacharyya S</author>
            <author>Das D</author>
            <author>Anand SP</author>
            <author>Prevost J</author>
            <author>Tolbert WD</author>
            <author>Lu H</author>
            <author>Medjahed H</author>
            <author>Delgado GGO</author>
            <author>Kirk S</author>
            <author>Melillo B</author>
            <author>Mothes W</author>
            <author>Sodroski J</author>
            <author>Smith III AB</author>
            <author>Kaufmann DE</author>
            <author>Wu X</author>
            <author>Pazgier M</author>
            <author>Rouiller I</author>
            <author>Finzi A</author>
            <author>Munro JB</author>
        </authors_list>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author order="1">Alsahafi N</author>
                    <author order="2">Bakouche N</author>
                    <author order="3">Kazemi M</author>
                    <author order="4">Richard J</author>
                    <author order="5">Ding S</author>
                    <author order="6">Bhattacharyya S</author>
                    <author order="7">Das D</author>
                    <author order="8">Anand SP</author>
                    <author order="9">Prevost J</author>
                    <author order="10">Tolbert WD</author>
                    <author order="11">Lu H</author>
                    <author order="12">Medjahed H</author>
                    <author order="13">Gendron-Lepage G</author>
                    <author order="14">Ortega Delgado GG</author>
                    <author order="15">Kirk S</author>
                    <author order="16">Melillo B</author>
                    <author order="17">Mothes W</author>
                    <author order="18">Sodroski J</author>
                    <author order="20">Kaufmann DE</author>
                    <author order="21">Wu X</author>
                    <author order="22">Pazgier M</author>
                    <author order="23">Rouiller I</author>
                    <author order="24">Finzi A</author>
                    <author order="25">Munro JB</author>
                    <title>An Asymmetric Opening of HIV-1 Envelope Mediates Antibody-Dependent Cellular Cytotoxicity.</title>
                    <journal_abbreviation>Cell Host Microbe</journal_abbreviation>
                    <country>US</country>
                    <volume>25</volume>
                    <first_page>578</first_page>
                    <last_page>587.e5</last_page>
                    <year>2019</year>
                    <external_references type="PUBMED">30974085</external_references>
                    <external_references type="DOI">doi:10.1016/j.chom.2019.03.002</external_references>
                    <external_references type="ISSN">1934-6069</external_references>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <emdb_list>
            <emdb_reference>
                <emdb_id>EMD-0466</emdb_id>
                <relationship>
                    <other>associated EM volume</other>
                </relationship>
            </emdb_reference>
        </emdb_list>
    </crossreferences>
    <sample>
        <name>HIV-1 Env in complex with BNM-III-170, A32 and 17b antibodies</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>HIV-1 Env in complex with BNM-III-170, A32 and 17b antibodies</name>
                <parent>0</parent>
                <details>HIV-1 Env present on the surface of Aldrithiol-2 (AT-2)-inactivated HIV-1 particles incubated with BNM-III-170, A32 and 17b antibodies.</details>
                <natural_source database="NCBI">
                    <organism ncbi="11676">Human immunodeficiency virus 1</organism>
                    <strain>HIV-1 BAL/SuPT1-CCR5 CL.30</strain>
                </natural_source>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="11676">Human immunodeficiency virus 1</recombinant_organism>
                    <recombinant_strain>HIV-1 BAL/SuPT1-CCR5 CL.30</recombinant_strain>
                </recombinant_expression>
            </complex_supramolecule>
        </supramolecule_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">0.335</concentration>
                    <buffer>
                        <ph>7.2</ph>
                        <component>
                            <concentration units="M">0.01</concentration>
                            <name>Tris-HCl</name>
                        </component>
                        <component>
                            <concentration units="M">0.1</concentration>
                            <name>NaCl</name>
                        </component>
                        <component>
                            <concentration units="mM">1.0</concentration>
                            <name>EDTA</name>
                        </component>
                    </buffer>
                    <grid>
                        <model>Quantifoil R2/2</model>
                        <material>COPPER</material>
                        <support_film film_type_id="1">
                            <film_material>CARBON</film_material>
                            <film_topology>HOLEY</film_topology>
                            <film_thickness units="nm">2000.0</film_thickness>
                        </support_film>
                        <pretreatment>
                            <type>GLOW DISCHARGE</type>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <chamber_humidity units="percentage">100</chamber_humidity>
                        <chamber_temperature units="K">277.15</chamber_temperature>
                        <instrument>FEI VITROBOT MARK IV</instrument>
                        <details></details>
                    </vitrification>
                    <details>Lot#P4311</details>
                </single_particle_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <single_particle_microscopy microscopy_id="1">
                    <microscope>FEI TALOS ARCTICA</microscope>
                    <illumination_mode>FLOOD BEAM</illumination_mode>
                    <imaging_mode>BRIGHT FIELD</imaging_mode>
                    <electron_source>FIELD EMISSION GUN</electron_source>
                    <acceleration_voltage units="kV">200</acceleration_voltage>
                    <nominal_cs units="mm">2.7</nominal_cs>
                    <calibrated_defocus_min units="µm">1.1559</calibrated_defocus_min>
                    <calibrated_defocus_max units="µm">3.2076</calibrated_defocus_max>
                    <calibrated_magnification>79000.</calibrated_magnification>
                    <cooling_holder_cryogen>NITROGEN</cooling_holder_cryogen>
                    <image_recording_list>
                        <image_recording image_recording_id="1">
                            <film_or_detector_model>GATAN K2 SUMMIT (4k x 4k)</film_or_detector_model>
                            <digitization_details>
                                <dimensions>
                                    <width units="pixel">3838</width>
                                    <height units="pixel">3710</height>
                                </dimensions>
                            </digitization_details>
                            <number_real_images>1033</number_real_images>
                            <average_electron_dose_per_image units="e/Å^2">1.4</average_electron_dose_per_image>
                            <details>1033 was the number of initial images (movies) that 1032 were selected for particle picking</details>
                        </image_recording>
                    </image_recording_list>
                </single_particle_microscopy>
            </microscopy_list>
            <singleparticle_processing image_processing_id="1">
                <image_recording_id>1</image_recording_id>
                <details>Collected movies aligned using motioncorr protocol</details>
                <particle_selection>
                    <number_selected>14076</number_selected>
                    <details>The initial number of extracted particles (200*200)</details>
                </particle_selection>
                <ctf_correction>
                    <software_list>
                        <software>
                            <name>CTFFIND</name>
                            <version>4</version>
                        </software>
                        <software>
                            <name>RELION</name>
                            <version>2</version>
                        </software>
                    </software_list>
                    <details>Using CTFFind4 to estimate the CTF and corrected for CTF in refinement with Relion-auto-refine</details>
                </ctf_correction>
                <startup_model type_of_model="NONE">
                    <details>The initial model obtained firstly by Relion-initial-map protocol and 3000 particles. Then using 4000 particles a more accurate map achieved by "highres protocol" (Scipion).</details>
                </startup_model>
                <final_reconstruction>
                    <number_classes_used>1</number_classes_used>
                    <applied_symmetry>
                        <point_group>C1</point_group>
                    </applied_symmetry>
                    <algorithm>FOURIER SPACE</algorithm>
                    <resolution units="Å" res_type="BY AUTHOR">13.08</resolution>
                    <resolution_method>FSC 0.143 CUT-OFF</resolution_method>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2</version>
                        </software>
                    </software_list>
                    <details>The resolution obtained using gold-standard method by Relion-auto-refine</details>
                    <number_images_used>10597</number_images_used>
                </final_reconstruction>
                <initial_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2</version>
                        </software>
                    </software_list>
                    <details>Initial angular assignment achieved by Relion 2D classification and alignment protocol.</details>
                </initial_angle_assignment>
                <final_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2</version>
                        </software>
                    </software_list>
                    <details>After processing the data by Relion-auto-refine</details>
                </final_angle_assignment>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
    <map format="CCP4" size_kbytes="32001">
        <file>emd_0466.map.gz</file>
        <symmetry>
            <space_group>1</space_group>
        </symmetry>
        <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
        <dimensions>
            <col>200</col>
            <row>200</row>
            <sec>200</sec>
        </dimensions>
        <origin>
            <col>0</col>
            <row>0</row>
            <sec>0</sec>
        </origin>
        <spacing>
            <x>200</x>
            <y>200</y>
            <z>200</z>
        </spacing>
        <cell>
            <a units="Å">340.0</a>
            <b units="Å">340.0</b>
            <c units="Å">340.0</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>-0.6560266</minimum>
            <maximum>0.623866</maximum>
            <average>-0.00458397</average>
            <std>0.022168187</std>
        </statistics>
        <pixel_spacing>
            <x units="Å">1.7</x>
            <y units="Å">1.7</y>
            <z units="Å">1.7</z>
        </pixel_spacing>
        <contour_list>
            <contour primary="true">
                <level>0.0246</level>
                <source>AUTHOR</source>
            </contour>
        </contour_list>
        <label>::::EMDATABANK.org::::EMD-0466::::</label>
        <annotation_details>Envelope</annotation_details>
    </map>
</emd>
