3D1Y
Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2007-06-13 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.720, 85.940, 46.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.050 |
Rwork | 0.150 |
R-free | 0.17360 |
Structure solution method | AB INITIO |
RMSD bond length | 0.017 |
RMSD bond angle | 0.033 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.090 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.100 | 0.420 |
Number of reflections | 83460 | |
<I/σ(I)> | 16.8 | 2.5 |
Completeness [%] | 82.5 | 92.5 |
Redundancy | 8.3 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 295 | SODIUM ACETATE BUFFER, 1M NaCl, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |