4H1N
Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 91.385, 91.385, 152.286 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.990 |
| R-factor | 0.23561 |
| Rwork | 0.233 |
| R-free | 0.28624 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.020 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.571 | 3.050 |
| High resolution limit [Å] | 2.898 | 2.898 |
| Rmerge | 0.068 | 0.744 |
| Number of reflections | 16796 | |
| <I/σ(I)> | 10 | 1.1 |
| Completeness [%] | 99.1 | 94.2 |
| Redundancy | 13.3 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.2M Ammonium Sulfate, 0.1M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
