1VIT
THROMBIN:HIRUDIN 51-65 COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Detector | SIEMENS |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 116.400, 116.400, 200.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.000 - 3.200 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| Structure solution method | MOLECULAR REPLACEMENT AND GRAPHICS |
| Starting model (for MR) | BOVINE THROMBIN IN COMPLEX WITH HIRUDIN |
| RMSD bond length | 0.009 |
| RMSD bond angle | 26.300 * |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 3.400 | |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.126 * | |
| Number of reflections | 11300 | |
| <I/σ(I)> | 7 | 2 |
| Completeness [%] | 80.0 | 41 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 * | HANGING DROP, RESERVOIRS CONTAINING 39% SATURATED AMMONIUM SULFATE, 0.25 M AMMONIUM PHOSPHATE PH 8.0 AND 1% PEG4000. DROPS CONSISTED OF EQUAL VOLUMES OF RESERVOIR AND PROTEIN SOLUTION CONTAINING 23.5 MG/ML PROTEIN., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | peptide | 11.75 (mg/ml) | |
| 3 | 1 | drop | ammonium sulfate | 19.5 (%sat) | |
| 4 | 1 | drop | ammonium phosphate | 0.25 (M) | |
| 5 | 1 | drop | PEG4000 | 0.5 (%) | |
| 6 | 1 | reservoir | ammonium sulfate | 39 (%sat) | |
| 7 | 1 | reservoir | PEG4000 | 1 (%) | |
| 8 | 1 | reservoir | ammonium phosphate | 0.25 (M) |
