3LU9
Crystal structure of human thrombin mutant S195A 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 | 2009-10-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.334, 50.171, 85.502 |
| Unit cell angles | 76.39, 83.93, 73.74 |
Refinement procedure
| Resolution | 28.070 - 1.800 |
| R-factor | 0.19513 |
| Rwork | 0.193 |
| R-free | 0.23622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.495 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (from CCP4) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.058 | 0.280 |
| Number of reflections | 63011 | |
| <I/σ(I)> | 17.6 | 3.9 |
| Completeness [%] | 96.0 | 93.4 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 295 | 200mM K/Na tartrate, 20% PEG3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
