2QNP
HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 196 |
| Detector technology | CCD |
| Collection date | 2007-06-29 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.356, 85.899, 46.648 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.410 |
| R-factor | 0.1777 |
| Rwork | 0.178 |
| R-free | 0.21430 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.027 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL2Map |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.050 | 0.334 |
| Number of reflections | 44939 | |
| <I/σ(I)> | 21.9 | 2.83 |
| Completeness [%] | 99.5 | 94.1 |
| Redundancy | 3.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | 3M NaCl, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.50 |
