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2NY2

HIV-1 gp120 Envelope Glycoprotein (T123C, T257S, S334A, S375W, G431C) Complexed with CD4 and Antibody 17b

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2005-03-03
DetectorMARMOSAIC 300 mm CCD
Spacegroup nameP 2 2 21
Unit cell lengths71.605, 88.024, 196.016
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.840 - 2.000
R-factor0.19526
Rwork0.194
R-free0.22296
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gc1
RMSD bond length0.005
RMSD bond angle0.911
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.070
High resolution limit [Å]2.0004.3102.000
Rmerge0.0820.0560.374
Number of reflections83788
<I/σ(I)>9.1
Completeness [%]99.399.594.4
Redundancy3.73.53.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.62987.2% PEG 8000, 7.8% MPD, 100 mM Na Citrate , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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