2NY3
HIV-1 gp120 Envelope Glycoprotein (K231C, T257S, E267C, S334A, S375W) Complexed with CD4 and Antibody 17b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-13 |
Detector | MAR CCD 225 mm |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 71.740, 88.197, 197.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.110 - 2.000 |
R-factor | 0.20513 |
Rwork | 0.203 |
R-free | 0.24284 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gc1 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.962 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.108 | 0.056 | 0.496 |
Number of reflections | 81583 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 95.6 | 99.6 | 85.9 |
Redundancy | 5.3 | 6.8 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 8.5% PEG 4000, 8.5% MPD, 100 mM Na Citrate , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |