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 |
