3L5M
Xenobiotic reductase A - coumarin bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Detector technology | CCD |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.92 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 57.990, 83.373, 156.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.331 - 1.100 |
| R-factor | 0.1911 |
| Rwork | 0.190 |
| R-free | 0.21630 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3l5l |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.469 |
| 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] | 30.000 |
| High resolution limit [Å] | 1.100 |
| Number of reflections | 147817 |
| Completeness [%] | 96.4 |
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 |
