6MCS
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-003
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 | 62.512, 62.512, 82.946 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.920 - 1.520 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.24190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tys |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.703 |
| Data reduction software | HKL-2000 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13rc2_2981: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.920 | 1.574 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.171 | |
| Number of reflections | 15206 | 1467 |
| <I/σ(I)> | 9.16 | |
| Completeness [%] | 99.0 | 98.19 |
| Redundancy | 17.7 | 1.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 0.2 M LiSO4, 0.1 M MES (pH 6.2), 15% (v/v) PEG4000 |
