6SR9
Crystal structure of glutathione transferase Omega 2C from Trametes versicolor in complex with oxyresveratrol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97992 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.516, 142.624, 65.431 |
Unit cell angles | 90.00, 116.44, 90.00 |
Refinement procedure
Resolution | 37.579 - 1.845 |
R-factor | 0.2049 |
Rwork | 0.203 |
R-free | 0.24170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sr8 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.025 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.270 | 45.270 | 1.880 |
High resolution limit [Å] | 1.845 | 9.040 | 1.845 |
Rmerge | 0.071 | 0.052 | 0.539 |
Rmeas | 0.078 | 0.059 | 0.602 |
Rpim | 0.033 | 0.026 | 0.264 |
Total number of observations | 1834 | 13396 | |
Number of reflections | 47917 | 384 | 2817 |
<I/σ(I)> | 11.8 | 25.9 | 2.3 |
Completeness [%] | 99.4 | 90.6 | 95.4 |
Redundancy | 4.9 | 4.8 | 4.8 |
CC(1/2) | 0.997 | 0.984 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 277 | 20% (w/v) polyethylene glycol 4000, 10% (v/v) 2-Propanol and 0.1 M pH 7.5 HEPES |