5Z9I
Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.987, 72.492, 98.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.282 - 2.199 |
R-factor | 0.1877 |
Rwork | 0.183 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.471 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.282 | 45.282 | 2.330 |
High resolution limit [Å] | 2.200 | 6.540 | 2.200 |
Rmerge | 0.065 | 0.028 | 0.440 |
Rmeas | 0.077 | 0.034 | 0.526 |
Total number of observations | 139630 | ||
Number of reflections | 40569 | 1532 | 6440 |
<I/σ(I)> | 13.17 | 37.34 | 2.88 |
Completeness [%] | 99.1 | 98.4 | 97.1 |
Redundancy | 3.442 | 3.436 | 3.214 |
CC(1/2) | 0.998 | 0.998 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, Bis-Tris hydrochloride, ammonium acetate |