5GWE
cytochrome P450 CREJ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL17B |
Synchrotron site | NFPSS |
Beamline | BL17B |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2016-03-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.540, 121.140, 125.610 |
Unit cell angles | 90.00, 90.96, 90.00 |
Refinement procedure
Resolution | 34.561 - 2.000 |
R-factor | 0.1614 |
Rwork | 0.161 |
R-free | 0.19790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rm4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.223 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.561 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.350 |
Number of reflections | 125652 | |
<I/σ(I)> | 8.53 | 2.4 |
Completeness [%] | 99.3 | 96.48 |
Redundancy | 2 | 2 |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | ammonium sulfate, sodium cacodylate trihydrate, PEG8000 |