1HBT
Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor
Experimental procedure
Collection date | 1994-08-16 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.600, 72.200, 72.800 |
Unit cell angles | 90.00, 100.40, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.181 |
Rwork | 0.181 |
RMSD bond length | 0.009 |
RMSD bond angle | 23.200 * |
Data reduction software | DENZO |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.000 | 2.000 * |
Rmerge | 0.082 | |
Total number of observations | 43266 * | |
Number of reflections | 19998 | |
Completeness [%] | 82.1 | 69 * |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.2 * | 18 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG3350 | 14.5 (%(w/v)) | |
2 | 1 | reservoir | 100 (mM) |