6MCR
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-001
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 | 2016-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 62.784, 62.784, 82.129 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.373 - 1.480 |
R-factor | 0.1733 |
Rwork | 0.173 |
R-free | 0.18850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tys |
RMSD bond length | 0.024 |
RMSD bond angle | 2.061 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.373 | 1.533 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.090 | |
Number of reflections | 16519 | 1607 |
<I/σ(I)> | 16.71 | 1.49 |
Completeness [%] | 99.8 | 99.26 |
Redundancy | 18.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M NaCl, 0.1 M HEPES (pH 7.5), 20% (v/v) PEG4000 |