7M9V
HIV-1 Protease (I84V) in Complex with NR01-141
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-11-24 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.079, 58.272, 61.912 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.338 - 1.891 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dgx |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.340 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.055 | 0.261 |
| Number of reflections | 14946 | 1435 |
| <I/σ(I)> | 34 | 5.4 |
| Completeness [%] | 97.3 | 82.3 |
| Redundancy | 7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |
