7XBM
Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
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 | 2021-10-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.040, 108.331, 153.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.510 - 2.400 |
R-factor | 0.1863 |
Rwork | 0.184 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bvj |
RMSD bond length | 0.002 |
RMSD bond angle | 0.533 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 39557 | 3737 |
<I/σ(I)> | 24.5 | |
Completeness [%] | 99.5 | |
Redundancy | 12.4 | |
CC(1/2) | 1.000 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2M Li2SO4, 0.1M sodium cacodylate, pH6.1, 16% PEG8000 |