2R5Q
Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Nelfinavir
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 | 2007-02-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.717, 60.061, 86.710 |
| Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
| Resolution | 28.360 - 2.300 |
| Rwork | 0.253 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.391 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.113 | 0.084 | 0.373 |
| Number of reflections | 21028 | ||
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 97.3 | 97.9 | 93.7 |
| Redundancy | 2.9 | 3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 30 mM citric acid, 1 M NaCl, pH 5.0, vapor diffusion, hanging drop, temperature 293K |
