6MCW
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.07807 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 150.685, 150.685, 66.321 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.960 - 2.400 |
| R-factor | 0.21689 |
| Rwork | 0.216 |
| R-free | 0.23722 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fmo |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.821 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.054 | 0.873 |
| Rmeas | 0.109 | |
| Rpim | 0.043 | 0.575 |
| Number of reflections | 33877 | 1681 |
| <I/σ(I)> | 17.6 | 1.4 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 6.2 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 291 | PEG 6000, photassium phosphate, glycerol, TCEP |
