3U8O
Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-14 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.446, 72.680, 83.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.340 - 1.280 |
| R-factor | 0.129 |
| Rwork | 0.128 |
| R-free | 0.14900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.477 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.252 | 1.350 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.183 | |
| Number of reflections | 87023 | |
| <I/σ(I)> | 28.5 | 4.1 |
| Completeness [%] | 96.7 | 93.4 |
| Redundancy | 11.5 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 293 | 50mM Tris, 50mM Bicine, 30mM NaF, 30mM NaBr, 30mM NaI, 11.5% MPD, 11.5% PEG-1000, 11.5% PEG-3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
