2BXT
Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.505, 71.917, 72.522 |
| Unit cell angles | 90.00, 100.35, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.830 |
| Rwork | 0.207 |
| R-free | 0.22500 |
| Structure solution method | OTHER |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.140 |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.830 |
| Rmerge | 0.050 |
| Number of reflections | 31095 |
| <I/σ(I)> | 12 |
| Completeness [%] | 98.8 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
