6J95
Crystal structure of CYP97A3 in complex with retinal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.481, 82.097, 110.339 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.632 - 2.002 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.19720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kf2 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.817 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.115 | 0.698 |
Rmeas | 0.120 | 0.734 |
Rpim | 0.036 | 0.223 |
Number of reflections | 36341 | 3557 |
<I/σ(I)> | 23.2 | 2.8 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 11.1 | 10.6 |
CC(1/2) | 0.968 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 289 | 0.2 M potassium sulfate, 20% (w/v) PEG 3350 |