7AYX
Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998
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 | 2017-09-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 149.263, 149.263, 107.188 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.320 - 2.530 |
R-factor | 0.2363 |
Rwork | 0.235 |
R-free | 0.26380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zby |
RMSD bond length | 0.006 |
RMSD bond angle | 1.072 |
Data reduction software | DIALS (2.2.5) |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.320 | 2.620 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.330 | 1.580 |
Rpim | 0.184 | |
Number of reflections | 46292 | 4486 |
<I/σ(I)> | 3.8 | 0.9 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 8 | 8.2 |
CC(1/2) | 0.981 | 0.443 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M Hepes pH 7.0 2.4M ammoniumsulfate |