6F8A
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91165 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.221, 65.151, 128.533 |
| Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
| Resolution | 46.650 - 1.350 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.19410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5liv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.185 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.650 | 46.650 | 1.370 |
| High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
| Rmerge | 0.050 | 0.044 | 0.313 |
| Rmeas | 0.058 | 0.051 | 0.369 |
| Rpim | 0.029 | 0.026 | 0.192 |
| Total number of observations | 632864 | 4301 | 29959 |
| Number of reflections | 167978 | 1090 | 8296 |
| <I/σ(I)> | 14.7 | 33.6 | 3.8 |
| Completeness [%] | 99.5 | 99.4 | 99.7 |
| Redundancy | 3.8 | 3.9 | 3.6 |
| CC(1/2) | 0.998 | 0.995 | 0.908 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Bis-Tris propane pH 6.5, 16% (w/v) PEG 3350, 0.2 M MgCl2 |
