1TMT
CHANGES IN INTERACTIONS IN COMPLEXES OF HIRUDIN DERIVATIVES AND HUMAN ALPHA-THROMBIN DUE TO DIFFERENT CRYSTAL FORMS
Experimental procedure
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.500, 107.100, 45.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.200 |
R-factor | 0.177 |
Rwork | 0.177 |
RMSD bond length | 0.014 |
RMSD bond angle | 3.000 |
Phasing software | X-PLOR |
Refinement software | TNT |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 * |
High resolution limit [Å] | 2.200 |
Rmerge | 0.086 * |
Total number of observations | 43768 * |
Number of reflections | 18572 * |
Completeness [%] | 89.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium acetate | 0.1 (M) | |
2 | 1 | reservoir | PEG6000 | 6-10 (%) |