3GHE
Crystal structure of anti-HIV-1 Fab 537-10D in complex with V3 peptide MN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-29 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.363, 71.322, 77.124 |
Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
Resolution | 29.950 - 2.400 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CRYSTAL STRUCTURE OF 2557 FAB WITH V3 PEPTIDE NY5 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.370 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.950 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.085 | 0.494 |
Number of reflections | 23276 | |
<I/σ(I)> | 2 | |
Completeness [%] | 73.1 | 8 |
Redundancy | 5.4 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 296.15 | 20% PEG 4000, 5% Isoproponal, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.15K |