4FB2
Crystal Structure of Substrate-Free P450cin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 70 |
| Detector technology | CCD |
| Collection date | 2010-02-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.383, 83.912, 88.192 |
| Unit cell angles | 96.81, 96.39, 89.94 |
Refinement procedure
| Resolution | 41.657 - 1.370 |
| R-factor | 0.1379 |
| Rwork | 0.136 |
| R-free | 0.16690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t2b |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.416 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.390 |
| High resolution limit [Å] | 1.370 | 3.720 | 1.370 |
| Rmerge | 0.073 | ||
| Number of reflections | 343124 | ||
| <I/σ(I)> | 32.4 | 42.4 | 2.3 |
| Completeness [%] | 95.7 | 98.8 | 93.1 |
| Redundancy | 3.9 | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 13% PEG 4000, 0.1M hepes pH 7, 0.1M magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
