5CON
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-015
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-06 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 61 |
Unit cell lengths | 62.786, 62.786, 81.907 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.393 - 1.800 |
R-factor | 0.2229 |
Rwork | 0.221 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.259 |
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 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.074 | 0.477 |
Number of reflections | 18426 | |
<I/σ(I)> | 54.46 | 5.9 |
Completeness [%] | 99.4 | 98.7 |
Redundancy | 11.5 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 298 | 0.6 M sodium/potassium phosphate pH6.3 |