2BVS
Human thrombin complexed with fragment-based small molecules occupying the S1 pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS |
| Synchrotron site | SLS |
| Temperature [K] | 100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.004, 71.711, 72.646 |
| Unit cell angles | 90.00, 100.75, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.400 |
| Rwork | 0.202 |
| R-free | 0.21900 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 3.380 |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 15.000 |
| High resolution limit [Å] | 1.400 |
| Rmerge | 0.050 |
| Number of reflections | 67245 |
| <I/σ(I)> | 5.9 |
| Completeness [%] | 95.9 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
