2AFQ
1.9 angstrom crystal structure of wild-type human thrombin in the sodium free state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.8700 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 153.340, 82.310, 50.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.970 - 1.930 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.900 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.110 | 0.550 |
| Number of reflections | 49378 | |
| <I/σ(I)> | 14.6 | 1.1 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 8.2 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | PEG 3350, magnesium acetate, lithium chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
