1ETR
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Experimental procedure
Spacegroup name | P 42 21 2 |
Unit cell lengths | 87.710, 87.710, 102.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.175 |
Rwork | 0.175 |
RMSD bond length | 0.014 |
RMSD bond angle | 3.256 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.200 * |
Rmerge | 0.136 * |
Total number of observations | 59073 * |
Number of reflections | 13937 * |
Completeness [%] | 81.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 * | 20 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | bovine thrombin | 10 (mg/ml) | |
2 | 1 | drop | inhibitor | 1 (mg/ml) | |
3 | 1 | drop | ammonium sulphate | 1.0 (M) | |
4 | 1 | drop | potassium phosphate | 0.1 (M) | |
5 | 1 | reservoir | ammonium sulphate | 1.9 (M) |