2F8G
HIV-1 protease mutant I50V complexed with inhibitor TMC114
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2004-11-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.696, 85.794, 46.145 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.220 |
| Rwork | 0.126 |
| R-free | 0.18780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.032 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.270 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Number of reflections | 52547 | |
| Completeness [%] | 82.0 | 53.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | NaOAc buffer (pH = 4.8), 2% DMSO, 0.5% dioxane, and 10% NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
