3B9F
1.6 A structure of the PCI-thrombin-heparin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.06 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.055, 48.825, 97.850 |
| Unit cell angles | 78.72, 81.52, 77.69 |
Refinement procedure
| Resolution | 30.950 - 1.600 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ol2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.500 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.052 | 0.445 |
| Number of reflections | 95914 | |
| <I/σ(I)> | 9.1 | 1.8 |
| Completeness [%] | 93.6 | 90.3 |
| Redundancy | 3.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 11% PEG 3350, 0.12M MgSO4, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
