1A8K
CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-03 |
| Detector | RIGAKU |
| Spacegroup name | P 1 1 21 |
| Unit cell lengths | 59.600, 52.200, 61.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.174 |
| Rwork | 0.174 |
| R-free | 0.31900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7hvp |
| RMSD bond length | 0.020 |
| RMSD bond angle | 27.080 * |
| Data reduction software | R-AXIS |
| Data scaling software | R-AXIS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.250 |
| High resolution limit [Å] | 2.000 | 2.060 |
| Rmerge | 0.101 | 0.092 |
| Number of reflections | 10077 | 3345 * |
| <I/σ(I)> | 2 | |
| Completeness [%] | 80.8 | 46.6 |
| Redundancy | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.7 | macroseeding with 40-41% ammonium sulfate * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HIV-1 protease | 5.8 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 20 (mM) | |
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | inhibitor | fivefold molar excess | |
| 5 | 1 | reservoir | sodium citrate | 66 (mM) | |
| 6 | 1 | reservoir | sodium phosphate | 132 (mM) | |
| 7 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 8 | 1 | reservoir | dimethyl sulfoxide | 10 (%) | |
| 9 | 1 | reservoir | ammonium sulfate | 44-45 (%sat) |
