7XBN
Crystal Structure of YC-17-bound 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 | 59.823, 108.903, 152.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.230 - 2.000 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.20950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bvj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.678 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 67865 | 6600 |
<I/σ(I)> | 26.8 | |
Completeness [%] | 99.7 | |
Redundancy | 12.6 | |
CC(1/2) | 0.998 | 0.877 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.2M Li2SO4, 0.1M Bis-TRIS, pH 6.0, 18% PEG4000 |