7MA2
HIV-1 Protease (I84V) in Complex with a Darunavir Derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-27 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.960, 57.937, 62.161 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.576 - 1.869 |
| R-factor | 0.1625 |
| Rwork | 0.161 |
| R-free | 0.19100 |
| 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] | 23.600 | 1.900 |
| High resolution limit [Å] | 1.869 | 1.870 |
| Rmerge | 0.059 | 0.253 |
| Number of reflections | 15285 | 1483 |
| <I/σ(I)> | 29.1 | 5 |
| Completeness [%] | 96.7 | 81.5 |
| Redundancy | 6.3 | 4.3 |
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 |
