1IHT
CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6
Experimental procedure
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.100, 72.200, 72.800 |
Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
Resolution | 8.000 * - 2.100 |
R-factor | 0.162 |
Rwork | 0.162 |
RMSD bond length | 0.012 |
RMSD bond angle | 2.800 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.100 * |
Rmerge | 0.042 * |
Total number of observations | 80671 * |
Number of reflections | 20612 * |
Completeness [%] | 92.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.5 * | 18 * | drop contained 0.003ml of protein solution mixed with 0.004ml of well solution. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8-10 (mg/ml) | |
2 | 1 | reservoir | sodium citrate | 0.1 (M) | |
3 | 1 | reservoir | PEG4000 | 24 (%) | |
4 | 1 | reservoir | 100 (mM) |