1MKX
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 273 |
| Detector technology | AREA DETECTOR |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.520, 87.990, 101.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.200 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.280 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 7.000 |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.101 * |
| Total number of observations | 142959 * |
| Number of reflections | 47039 |
| Completeness [%] | 75.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 * | 38% AMMONIUM SULFATE, 0.25M AMMONIUM PHOSPHATE, PH 5.8, 1% POLYETHYLENE GLYCOL 4000 (DROP ONLY). |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | drop | ammonium phosphate | 0.25 (M) | pH6.0 |
| 3 | 1 | reservoir | ammonium sulfate | 38 (%) | |
| 4 | 1 | reservoir | ammonium phosphate | 0.25 (M) | pH5.8 |
