3KW4
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 93.500, 93.500, 137.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.540 - 2.670 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1suo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.406 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.973 | 2.810 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.101 | 0.416 |
| Number of reflections | 20223 | |
| <I/σ(I)> | 4.9 | 1.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 291 | 20% (w/v) PEG 8000, 0.2 M MgCl2 and 0.1 M Tris, pH 8.5, vapor diffusion, sitting drop, temperature 291K |
