5COP
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-30 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 62.663, 62.663, 81.955 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.332 - 2.000 |
R-factor | 0.2052 |
Rwork | 0.202 |
R-free | 0.26740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.190 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (10.2.35) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.099 | 0.526 |
Number of reflections | 12252 | |
<I/σ(I)> | 23.035 | 2.889 |
Completeness [%] | 98.7 | 99.8 |
Redundancy | 4.4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M sodium dihydrogen phosphate pH6.5, 12% (weight/volume) polyethylene glycol |