1XMN
Crystal structure of thrombin bound to heparin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9781 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.907, 80.841, 114.144 |
| Unit cell angles | 90.00, 101.05, 90.00 |
Refinement procedure
| Resolution | 36.600 - 1.850 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppb |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.090 | 0.438 |
| Number of reflections | 118543 | |
| <I/σ(I)> | 5.6 | 2.1 |
| Completeness [%] | 96.1 | 87.1 |
| Redundancy | 4.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 3350, Sodium Citrate, glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
