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 |
