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<emdEntry accessCode="20154" version="1.9.6" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="https://github.com/emdb-empiar/emdb-schemas/blob/master/v1/v1_9/emdb_v1_9_6.xsd">
    <admin>
        <lastUpdate>2021-02-01</lastUpdate>
    </admin>
    <deposition>
        <status>OBS</status>
        <depositionDate>2019-04-25</depositionDate>
        <depositionSite>RCSB</depositionSite>
        <processingSite>RCSB</processingSite>
        <headerReleaseDate>2021-02-10</headerReleaseDate>
        <obsoletedDate>2021-02-10</obsoletedDate>
        <title>Reconstruction of class 2 of CD4- and 17-bound B41 HIV-1 Env SOSIP incubated with LMNG and small molecule GO27</title>
        <authors>Ozorowski G, Torres JL, Ward AB</authors>
        <primaryReference published="false">
            <journalArticle>
                <authors>Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB</authors>
                <articleTitle>CryoEM structure guided design of a new class of small molecules that target a pocket near the fusion peptide of receptor bound HIV-1 Env</articleTitle>
                <journal>To Be Published</journal>
                <externalReference type="csd">0353</externalReference>
            </journalArticle>
        </primaryReference>
    </deposition>
    <map>
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        <dataType>Image stored as Reals</dataType>
        <dimensions>
            <numRows>288</numRows>
            <numColumns>288</numColumns>
            <numSections>288</numSections>
        </dimensions>
        <origin>
            <originRow>0</originRow>
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        <limit>
            <limitRow>287</limitRow>
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        <spacing>
            <spacingRow>288</spacingRow>
            <spacingCol>288</spacingCol>
            <spacingSec>288</spacingSec>
        </spacing>
        <cell>
            <cellA units="A">296.63998</cellA>
            <cellB units="A">296.63998</cellB>
            <cellC units="A">296.63998</cellC>
            <cellAlpha units="degrees">90.0</cellAlpha>
            <cellBeta units="degrees">90.0</cellBeta>
            <cellGamma units="degrees">90.0</cellGamma>
        </cell>
        <axisOrder>
            <axisOrderFast>X</axisOrderFast>
            <axisOrderMedium>Y</axisOrderMedium>
            <axisOrderSlow>Z</axisOrderSlow>
        </axisOrder>
        <statistics>
            <minimum>-1.0728008</minimum>
            <maximum>1.2932017</maximum>
            <average>-7.328816e-05</average>
            <std>0.055898637</std>
        </statistics>
        <spaceGroupNumber>1</spaceGroupNumber>
        <details />
        <pixelSpacing>
            <pixelX units="A">1.03</pixelX>
            <pixelY units="A">1.03</pixelY>
            <pixelZ units="A">1.03</pixelZ>
        </pixelSpacing>
        <contourLevel source="author">0.3</contourLevel>
        <annotationDetails>sharpened map</annotationDetails>
    </map>
    <sample>
        <numComponents>6</numComponents>
        <name>Class 2 of CD4- and 17b-bound HIV-1 Env B41 SOSIP incubated with LMNG and small molecule GO27</name>
        <sampleComponentList>
            <sampleComponent componentID="1">
                <entry>protein</entry>
                <sciName>Class 2 of CD4- and 17b-bound HIV-1 Env B41 SOSIP incubated with LMNG and small molecule GO27</sciName>
                <molWtTheo units="MDa">0.05</molWtTheo>
                <protein>
                    <sciSpeciesName ncbiTaxId="11676">Human immunodeficiency virus 1</sciSpeciesName>
                    <recombinantExpFlag>false</recombinantExpFlag>
                    <engSource />
                </protein>
            </sampleComponent>
            <sampleComponent componentID="2">
                <entry>protein</entry>
                <sciName>HIV-1 B41 SOSIP gp120</sciName>
                <protein>
                    <sciSpeciesName ncbiTaxId="11676">Human immunodeficiency virus 1</sciSpeciesName>
                    <recombinantExpFlag>false</recombinantExpFlag>
                    <engSource>
                        <expSystem ncbiTaxId="9606">Homo sapiens</expSystem>
                    </engSource>
                </protein>
            </sampleComponent>
            <sampleComponent componentID="3">
                <entry>protein</entry>
                <sciName>HIV-1 B41 SOSIP gp41</sciName>
                <protein>
                    <sciSpeciesName ncbiTaxId="11676">Human immunodeficiency virus 1</sciSpeciesName>
                    <recombinantExpFlag>false</recombinantExpFlag>
                    <engSource>
                        <expSystem ncbiTaxId="9606">Homo sapiens</expSystem>
                    </engSource>
                </protein>
            </sampleComponent>
            <sampleComponent componentID="4">
                <entry>protein</entry>
                <sciName>T-cell surface glycoprotein CD4</sciName>
                <protein>
                    <sciSpeciesName ncbiTaxId="9606">Homo sapiens</sciSpeciesName>
                    <recombinantExpFlag>false</recombinantExpFlag>
                    <engSource>
                        <expSystem ncbiTaxId="9606">Homo sapiens</expSystem>
                    </engSource>
                </protein>
            </sampleComponent>
            <sampleComponent componentID="5">
                <entry>protein</entry>
                <sciName>17b Fab light chain</sciName>
                <protein>
                    <sciSpeciesName ncbiTaxId="9606">Homo sapiens</sciSpeciesName>
                    <recombinantExpFlag>false</recombinantExpFlag>
                    <engSource>
                        <expSystem ncbiTaxId="9606">Homo sapiens</expSystem>
                    </engSource>
                </protein>
            </sampleComponent>
            <sampleComponent componentID="6">
                <entry>protein</entry>
                <sciName>17b Fab heavy chain</sciName>
                <protein>
                    <sciSpeciesName ncbiTaxId="9606">Homo sapiens</sciSpeciesName>
                    <recombinantExpFlag>false</recombinantExpFlag>
                    <engSource>
                        <expSystem ncbiTaxId="9606">Homo sapiens</expSystem>
                    </engSource>
                </protein>
            </sampleComponent>
        </sampleComponentList>
    </sample>
    <experiment>
        <vitrification>
            <cryogenName>ETHANE</cryogenName>
            <humidity>100</humidity>
            <temperature units="Kelvin">283</temperature>
            <instrument>FEI VITROBOT MARK IV</instrument>
        </vitrification>
        <imaging>
            <electronSource>FIELD EMISSION GUN</electronSource>
            <electronDose units="e/A**2">51.0</electronDose>
            <imagingMode>BRIGHT FIELD</imagingMode>
            <nominalDefocusMin units="nm">500.0</nominalDefocusMin>
            <nominalDefocusMax units="nm">2500.0</nominalDefocusMax>
            <illuminationMode>FLOOD BEAM</illuminationMode>
            <detector>GATAN K2 SUMMIT (4k x 4k)</detector>
            <nominalCs units="mm">2.7</nominalCs>
            <microscope>FEI TITAN KRIOS</microscope>
            <specimenHolderModel>FEI TITAN KRIOS AUTOGRID HOLDER</specimenHolderModel>
            <acceleratingVoltage units="kV">300</acceleratingVoltage>
            <nominalMagnification>29000</nominalMagnification>
        </imaging>
        <imageAcquisition>
            <numDigitalImages>5296</numDigitalImages>
            <samplingSize units="microns">5.0</samplingSize>
        </imageAcquisition>
        <fitting>
            <pdbEntryIdList>
                <pdbEntryId>5VN3</pdbEntryId>
            </pdbEntryIdList>
            <refProtocol>rigid body</refProtocol>
        </fitting>
        <specimenPreparation>
            <specimenState>particle</specimenState>
            <specimenConc units="mg/ml">5</specimenConc>
            <buffer>
                <ph>7.4</ph>
                <details>Detergent (LMNG) added shortly (&lt;5 minutes) prior to grid freezing using an 8X concentrated stock.</details>
            </buffer>
            <specimenSupportDetails>N/A</specimenSupportDetails>
        </specimenPreparation>
    </experiment>
    <processing>
        <method>singleParticle</method>
        <reconstruction>
            <software>cryoSPARC</software>
            <resolutionByAuthor>4.0</resolutionByAuthor>
            <resolutionMethod>FSC 0.143 CUT-OFF</resolutionMethod>
            <details>FSC resolution estimation calculated in CryoSPARC 2 and Relion 3.0</details>
        </reconstruction>
        <singleParticle>
            <appliedSymmetry>C3</appliedSymmetry>
            <numProjections>51358</numProjections>
        </singleParticle>
    </processing>
</emdEntry>