1DWD
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Experimental procedure
Spacegroup name | P 43 21 2 |
Unit cell lengths | 90.800, 90.800, 132.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 3.000 |
R-factor | 0.156 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.980 |
Refinement software | TNT |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 9999.000 * |
High resolution limit [Å] | 3.000 * |
Rmerge | 0.067 * |
Total number of observations | 45886 * |
Number of reflections | 12714 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 25 (%) | |
2 | 1 | reservoir | 200 (mM) | ||
3 | 1 | reservoir | HEPES | 100 (mM) |