2PSV
Crystal Structure of wild type HIV-1 protease in complex with CARB-KB45
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Detector technology | IMAGE PLATE |
Collection date | 2005-12-21 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.692, 57.593, 61.836 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.140 - 1.750 |
R-factor | 0.16737 |
Rwork | 0.165 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f7a |
RMSD bond length | 0.008 |
RMSD bond angle | 1.266 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.045 |
Number of reflections | 19450 |
<I/σ(I)> | 15.1 |
Completeness [%] | 94.6 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 126mM Sodium Phosphate, 63mM sodium citrate, 24-29% ammonium sulphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |