3L68
Xenobiotic Reductase A - C25S variant with coumarin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.92 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 58.329, 83.556, 156.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.194 - 1.750 |
R-factor | 0.1812 |
Rwork | 0.180 |
R-free | 0.21210 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3l67 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.977 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 33.194 |
High resolution limit [Å] | 1.750 |
Number of reflections | 36914 |
Completeness [%] | 94.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 1.5M Ammonium sulfate, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |