4Q5M
D30N tethered HIV-1 protease dimer/saquinavir complex
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 | ADSC QUANTUM 315r |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.840, 62.840, 82.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.400 - 1.795 |
| R-factor | 0.2076 |
| Rwork | 0.206 |
| R-free | 0.23470 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1lv1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.095 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.426 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.055 | 0.560 |
| Number of reflections | 17150 | |
| <I/σ(I)> | 16.6 | 2.4 |
| Completeness [%] | 99.1 | 98.2 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 1-5% SATURATED AMMONIUM SULFATE, 200/100MM PHOSPHATE/CITRATE BUFFER, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
