3D1X
Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2007-06-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.900, 86.020, 46.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.050 |
| R-factor | 0.1547 |
| Rwork | 0.119 |
| R-free | 0.14700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1daz |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.036 |
| 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 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.088 | 0.258 |
| Number of reflections | 95184 | |
| <I/σ(I)> | 21.9 | 7 |
| Completeness [%] | 92.2 | 93.5 |
| Redundancy | 6.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | SODIUM ACETATE BUFFER, 10-15% NaCl, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
