5WX4
Alkylquinolone synthase from Evodia rutaecarpa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 169.470, 106.880, 84.380 |
Unit cell angles | 90.00, 113.89, 90.00 |
Refinement procedure
Resolution | 38.738 - 2.203 |
R-factor | 0.1807 |
Rwork | 0.179 |
R-free | 0.21590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wd8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.145 |
Data scaling software | Aimless |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.059 | 0.399 |
Number of reflections | 69341 | |
<I/σ(I)> | 19.2 | 3.3 |
Completeness [%] | 99.5 | 98.5 |
Redundancy | 5.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES, 0.2 M Magnesium chloride, 10%(w/v) PEG8000 |