2PUX
Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR3
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 | 2007-04-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.025, 48.188, 62.046 |
| Unit cell angles | 90.00, 106.23, 90.00 |
Refinement procedure
| Resolution | 27.080 - 2.000 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (from ccp4) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.306 |
| Number of reflections | 27610 | |
| <I/σ(I)> | 10.6 | 2.9 |
| Completeness [%] | 97.2 | 88.6 |
| Redundancy | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20% PEG 10000, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
