6L8I
Crystal structure of CYP97A3 mutant S290D/W300L/S304V
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 | 2016-10-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.069, 81.520, 110.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.035 - 1.700 |
R-factor | 0.1773 |
Rwork | 0.176 |
R-free | 0.19690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kf2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.023 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.053 | 0.521 |
Rmeas | 0.055 | 0.543 |
Rpim | 0.015 | 0.153 |
Number of reflections | 58443 | 5770 |
<I/σ(I)> | 55.8 | 4.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.1 | |
CC(1/2) | 0.993 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | MES, PEG 20000 |