1AWH
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
Experimental procedure
| Source details | ENRAF-NONIUS |
| Temperature [K] | 290 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1991-12 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.600, 102.800, 119.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 3.000 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PPACK-THROMBIN |
| RMSD bond length | 0.018 |
| RMSD bond angle | 30.100 * |
| Data reduction software | CCP4 |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.124 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4 | 4 * | 14% PEG4K, 100MM NA ACETATE, PH 4.0. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG4000 | 8-12 (%) | |
| 2 | 1 | drop | sodium acetate | 100 (mM) | |
| 3 | 1 | drop | protein | 36 (mg/ml) |
