6UWB
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08513
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 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 62.918, 62.918, 82.112 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.402 - 1.950 |
R-factor | 0.2055 |
Rwork | 0.203 |
R-free | 0.26330 |
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 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.160 | |
Number of reflections | 16579 | 653 |
<I/σ(I)> | 7 | 0.3 |
Completeness [%] | 97.0 | 77.6 |
Redundancy | 3.1 | 1.8 |
CC(1/2) | 0.048 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 8000, 0.1 M HEPES pH7.5, 0.2 M NaCl |