6OYR
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-002
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 | 2016-10-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 62.820, 62.820, 82.354 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.390 - 1.540 |
R-factor | 0.21784 |
Rwork | 0.216 |
R-free | 0.26119 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tyr |
RMSD bond length | 0.022 |
RMSD bond angle | 2.033 |
Data reduction software | HKL-2000 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.390 | 1.595 |
High resolution limit [Å] | 1.540 | 1.540 |
Number of reflections | 14722 | 14710 |
<I/σ(I)> | 15.72 | |
Completeness [%] | 99.3 | |
Redundancy | 18.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 0.15 M Ammonium sulfate, 0.1 M HEPES (pH 7.4), 15% (w/v) PEG4000 |