4FMX
Crystal Structure of Substrate-Bound P450cin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 70 |
| Detector technology | CCD |
| Collection date | 2010-02-28 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | .98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.551, 69.259, 122.608 |
| Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
| Resolution | 34.995 - 1.554 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t2b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.121 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 136152 | |
| <I/σ(I)> | 20.1 | 2.11 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 298 | 6-9% PEG 3350, 100mM BisTris pH 6.2, 100mM Lithium Sulfate, 5mM Cineole, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
