7LEG
HIV-1 Protease WT (NL4-3) in Complex with PU8 (LR4-06)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-09-20 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.323, 58.502, 61.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.509 - 1.960 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dgx |
| Data reduction software | Coot |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.510 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.074 | 0.488 |
| Number of reflections | 13744 | 665 |
| <I/σ(I)> | 23.9 | 3.6 |
| Completeness [%] | 98.6 | 96.4 |
| Redundancy | 6.9 | 6.3 |
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 |
