1THR
STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR
Experimental procedure
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.430, 72.320, 72.810 |
Unit cell angles | 90.00, 100.55, 90.00 |
Refinement procedure
Resolution | 7.000 * - 2.300 |
R-factor | 0.155 |
RMSD bond length | 0.200 |
RMSD bond angle | 5.000 |
Refinement software | PROLSQ |
Data quality characteristics
Overall | |
High resolution limit [Å] | 2.300 * |
Rmerge | 0.036 * |
Number of reflections | 13321 * |
Completeness [%] | 75.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein complex | 3 (mg/ml) | |
2 | 1 | drop | Tris | 0.1 (M) | |
3 | 1 | drop | sodium acetate | 0.2 (M) | |
4 | 1 | drop | 0.18 (M) | ||
5 | 1 | drop | PEG4000 | 12 (%) | |
6 | 1 | drop | 1 (mM) | ||
7 | 1 | reservoir | sodium phosphate | 0.1 (M) | |
8 | 1 | reservoir | PEG4000 | 24 (%) | |
9 | 1 | reservoir | 1 (mM) |