3HKI
Crystal structure of murine 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 | 2008-12-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 231.419, 50.995, 80.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.230 - 2.200 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tq0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.800 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.051 | 0.365 |
| Number of reflections | 45052 | |
| <I/σ(I)> | 28.6 | 4.9 |
| Completeness [%] | 90.9 | 80.9 |
| Redundancy | 6.9 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 100mM Tris-HCl pH 8.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
