8SPC
Crystal structure of the cytochrome P450 enzyme RufO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.627, 77.627, 136.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.340 - 1.871 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.21650 |
Structure solution method | SIR |
RMSD bond length | 0.008 |
RMSD bond angle | 0.842 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.340 | 1.937 |
High resolution limit [Å] | 1.871 | 1.871 |
Rmerge | 0.096 | 1.469 |
Rmeas | 0.101 | 1.564 |
Rpim | 0.028 | 0.528 |
Number of reflections | 35269 | 3398 |
<I/σ(I)> | 15.29 | 1.14 |
Completeness [%] | 99.6 | 96.32 |
Redundancy | 12.8 | 8.4 |
CC(1/2) | 0.999 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 0.2 M magnesium chloride, 0.1 M Bis-Tris, 23% PEG3350 |