1MSM
The HIV protease (mutant Q7K L33I L63I) complexed with KNI-764 (an inhibitor)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-04-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.670, 85.819, 46.528 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.000 |
| Rwork | 0.209 |
| R-free | 0.23600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hpx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.220 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 * | |
| Total number of observations | 122330 * | |
| Number of reflections | 15861 | |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 97.7 | 87.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 * | 298 | MOPS, Sodium chloride, sodium azide, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MOPS | 100 (mM) | pH7.0 |
| 2 | 1 | reservoir | 250 (mM) | ||
| 3 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 4 | 1 | reservoir | 3 (mM) | ||
| 5 | 1 | drop | protein | 6 (mg/ml) | |
| 6 | 1 | drop | sodium acetate | 1 (mM) | pH5.0 |
| 7 | 1 | drop | 2 (mM) |
