5UOV
HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.179, 86.515, 45.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.330 |
| Rwork | 0.152 |
| R-free | 0.18340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3djk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.072 | 0.456 |
| Number of reflections | 52049 | |
| <I/σ(I)> | 18.2 | 2.2 |
| Completeness [%] | 96.2 | 72.4 |
| Redundancy | 6.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 1.28 M NaCl, 0.1 M Sodium Acetate, pH 4.8 |
