1A30
HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.470, 86.440, 45.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.22700 |
| Structure solution method | USING ISOMORPHOUS TO PREVIOUS STRUCTURE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 26.395 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.048 | 0.121 |
| Total number of observations | 65424 * | |
| Number of reflections | 14128 | |
| <I/σ(I)> | 14.6 | 5.6 |
| Completeness [%] | 86.7 | 72.5 * |
| Redundancy | 4.63 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 4.2 | pH 4.2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HIV-1 protease | 5-7.5 (mg/ml) | |
| 2 | 1 | drop | sodium formate | 50 (mM) | pH4.2 |
| 3 | 1 | drop | dithiothreitol | 2.5 (mM) | |
| 4 | 1 | drop | tripeptide | 150 (mM) | |
| 5 | 1 | reservoir | sodium citrate | 60 (mM) | pH4.0 |
| 6 | 1 | reservoir | sodium phosphate | 132 (mM) | |
| 7 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 8 | 1 | reservoir | sodium formate | 1.1 (M) |
