3U8R
Human thrombin complexed with D-Phe-Pro-D-Arg-Ile
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 | 51.563, 76.527, 83.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.840 - 1.470 |
| R-factor | 0.131 |
| Rwork | 0.129 |
| R-free | 0.16100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.313 |
| 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] | 51.563 | 1.550 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.286 | |
| Number of reflections | 56417 | |
| <I/σ(I)> | 20 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.8 | 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 |
