5V4Y
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-09510
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2014-12-12 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 62.473, 62.473, 82.929 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.232 - 1.900 |
| R-factor | 0.2105 |
| Rwork | 0.206 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hla |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.114 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.450 |
| Number of reflections | 9082 | |
| <I/σ(I)> | 26.41 | 2.1 |
| Completeness [%] | 96.8 | 98.5 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 295 | 0.8M sodium/potassium phosphate buffer (pH6.9) |
