6UWC
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08613
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 | PIXEL |
Collection date | 2014-07-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 62.289, 62.289, 81.985 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.064 - 1.950 |
R-factor | 0.2048 |
Rwork | 0.202 |
R-free | 0.25530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hla |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.830 |
Number of reflections | 13777 | 633 |
<I/σ(I)> | 5.43 | 2.14 |
Completeness [%] | 95.5 | 89.8 |
Redundancy | 5.6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 15% PEG 6000, 0.1 M Sodium citrate pH 5.5 |