2WHH
HIV-1 protease tethered dimer Q-product complex along with nucleophilic water molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.540, 62.540, 81.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.690 |
| R-factor | 0.2193 |
| Rwork | 0.219 |
| R-free | 0.25560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lv1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.574 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (CCP4) |
| Refinement software | CNS (1.12.123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.080 | 0.490 |
| Number of reflections | 20251 | |
| <I/σ(I)> | 12.61 | 3.35 |
| Completeness [%] | 97.9 | 94.1 |
| Redundancy | 3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
