7UTF
Structure-Function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-28 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.033210 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 159.450, 159.450, 163.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.450 - 2.500 |
R-factor | 0.1871 |
Rwork | 0.185 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xk2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.433 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.450 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.262 | 2.503 |
Rmeas | 0.270 | 2.581 |
Rpim | 0.066 | 0.627 |
Number of reflections | 73419 | 7223 |
<I/σ(I)> | 11.52 | 1.3 |
Completeness [%] | 99.8 | 99.81 |
Redundancy | 16.4 | 16.6 |
CC(1/2) | 0.998 | 0.595 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |