1ABI
STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS
Experimental procedure
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.440, 72.100, 73.070 |
Unit cell angles | 90.00, 101.02, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.300 |
R-factor | 0.132 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.800 |
Refinement software | PROLSQ |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 2.500 * |
High resolution limit [Å] | 2.300 * |
Rmerge | 2.000 * |
Total number of observations | 59257 * |
Number of reflections | 12167 * |
Completeness [%] | 77.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.3 * | 8 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium phosphate | 0.075 (M) | |
2 | 1 | drop | 0.19 (M) | ||
3 | 1 | drop | PEG | 12 (%) | |
4 | 1 | drop | 1 (mM) | ||
5 | 1 | reservoir | sodium phosphate | 0.1 (M) | |
6 | 1 | reservoir | PEG | 24 (%) | |
7 | 1 | reservoir | 1 (mM) | ||
8 | 1 | drop | protein complex | 2.5 (mg/mL) |