3HKJ
Crystal structure of human thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.140, 61.783, 67.834 |
| Unit cell angles | 98.78, 110.28, 92.95 |
Refinement procedure
| Resolution | 37.170 - 2.600 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tq0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.052 | 0.199 |
| Number of reflections | 22864 | |
| <I/σ(I)> | 18.5 | 4.2 |
| Completeness [%] | 93.4 | 79.3 |
| Redundancy | 3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 100mM HEPES pH 7.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
