9EEE
Room-temperature X-ray structure of HIV-1 protease in complex with GRL-10624A inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2024-09-04 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 46.334, 60.013, 87.689 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.720 - 1.700 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.20140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.006 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.690 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.074 | 0.760 |
| Number of reflections | 26844 | 2618 |
| <I/σ(I)> | 19.82 | |
| Completeness [%] | 97.1 | 94.6 |
| Redundancy | 7 | 6.9 |
| CC(1/2) | 0.981 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.1 M MES, 0.7-1.0 M sodium chloride, pH 6.0 |
