6F85
Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with histidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.378, 64.382, 128.130 |
Unit cell angles | 90.00, 112.61, 90.00 |
Refinement procedure
Resolution | 46.330 - 2.050 |
R-factor | 0.1832 |
Rwork | 0.182 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5liv |
RMSD bond length | 0.016 |
RMSD bond angle | 1.461 |
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] | 46.330 | 46.330 | 2.110 |
High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
Rmerge | 0.047 | 0.024 | 0.395 |
Rmeas | 0.054 | 0.027 | 0.450 |
Rpim | 0.026 | 0.013 | 0.211 |
Number of reflections | 47060 | 607 | 3586 |
<I/σ(I)> | 17.8 | ||
Completeness [%] | 99.2 | 98 | 98.7 |
Redundancy | 4.3 | 3.9 | 4.4 |
CC(1/2) | 0.999 | 0.999 | 0.917 |
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, 14% (w/v) PEG 3350, 0.25 M NaNO3 |