8Q5J
Cytochrome P450 monooxygenase from Streptomyces scabiei (SscaCYP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2023-03-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 121.270, 46.890, 75.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.380 - 1.480 |
R-factor | 0.16539 |
Rwork | 0.164 |
R-free | 0.18918 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.764 |
Data reduction software | xia2 |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.380 | 6.620 | 1.520 |
High resolution limit [Å] | 1.480 | 4.680 | 1.480 |
Rmerge | 0.154 | 0.056 | 2.238 |
Rmeas | 0.168 | 0.061 | 2.636 |
Number of reflections | 139161 | 2819 | 10321 |
<I/σ(I)> | 9.82 | ||
Completeness [%] | 100.0 | ||
Redundancy | 12.3 | ||
CC(1/2) | 0.998 | 0.998 | 0.199 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.2 M magnesium formate dihydrate, 20% w/v polyethylene glycol 3,350 |