3JVY
HIV-1 Protease Mutant G86A with DARUNAVIR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2005-07-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.328, 86.433, 46.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.600 |
R-factor | 0.1857 |
Rwork | 0.186 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ien |
RMSD bond length | 0.009 |
RMSD bond angle | 0.029 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.132 | 0.474 |
Number of reflections | 31701 | |
<I/σ(I)> | 10.7 | |
Completeness [%] | 95.4 | 87.3 |
Redundancy | 4.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | Crystallization drops contained 1 ul protein and 1.6 ul of the reservoir solution of 8% SODIUM CHLORIDE, MES PH 5.6 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |