2A0Q
Structure of thrombin in 400 mM potassium chloride
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] | 110 |
| Detector technology | CCD |
| Collection date | 2004-12-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.510, 69.740, 158.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.400 - 1.900 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.710 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.400 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.405 |
| Number of reflections | 49296 | |
| <I/σ(I)> | 16.9 | 4.2 |
| Completeness [%] | 94.6 | 96 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | PEG-MME 2000, potassium chloride, Bis-Tris, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
