2R3W
I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-06-27 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.336, 85.763, 46.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.920 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pwc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.022 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.091 | 0.463 |
| Number of reflections | 17926 | |
| <I/σ(I)> | 15.8 | 3.2 |
| Completeness [%] | 98.6 | 97 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2.5M NaCl, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
