7LE3
HIV-1 Protease WT (NL4-3) in Complex with UMass5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-01 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.879, 58.105, 62.035 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.300 - 1.870 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dgx |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4080) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.300 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.055 | 0.360 |
| Number of reflections | 15191 | 642 |
| <I/σ(I)> | 32.4 | 4.1 |
| Completeness [%] | 96.8 | 85.1 |
| Redundancy | 7 | 5.4 |
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 |
