5T6Q
Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: An n-Alkane and fatty acid omega-hydroxylase with a covalently bound heme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979500 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 109.678, 109.678, 125.817 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.366 - 2.701 |
| R-factor | 0.2021 |
| Rwork | 0.200 |
| R-free | 0.24020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q9f |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.846 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.370 | 2.830 |
| High resolution limit [Å] | 2.697 | 2.700 |
| Rmerge | 0.056 | 0.504 |
| Number of reflections | 24603 | |
| <I/σ(I)> | 20.2 | 4 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 7.1 | 7.2 |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG 3350, tri-sodium citrate |
