6HQW
Cytochrome P450-153 from Novosphingobium aromaticivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-15 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966000 |
Spacegroup name | P 32 |
Unit cell lengths | 113.133, 113.133, 72.970 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 97.980 - 2.900 |
R-factor | 0.24989 |
Rwork | 0.248 |
R-free | 0.29883 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rwl |
RMSD bond length | 0.009 |
RMSD bond angle | 1.368 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.980 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.061 | 0.604 |
Number of reflections | 22850 | 3723 |
<I/σ(I)> | 12.6 | 2.4 |
Completeness [%] | 98.7 | 99.6 |
Redundancy | 3.2 | 3.3 |
CC(1/2) | 0.947 | 0.745 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 0.1 M Hepes, 10% w/v PEG8000 |