8W7G
Crystal structure of cytochrome P450 CYP161H12 from Amycolatopsis pretoriensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97851 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 75.780, 75.780, 141.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.490 - 1.800 |
R-factor | 0.1834 |
Rwork | 0.181 |
R-free | 0.21910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.780 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.087 | 0.252 |
Rpim | 0.025 | 0.189 |
Number of reflections | 41265 | 1628 |
<I/σ(I)> | 22.8 | 3.6 |
Completeness [%] | 97.0 | 71.9 |
Redundancy | 17.7 | 3.8 |
CC(1/2) | 0.999 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289.15 | BIS-TRIS, PEG-300 |