6F69
Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with 2,3,4-Trihydroxybenzophenone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-05 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.400, 104.210, 107.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.615 - 1.803 |
R-factor | 0.2226 |
Rwork | 0.220 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f43 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.332 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.620 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.089 | |
Number of reflections | 49835 | |
<I/σ(I)> | 8 | |
Completeness [%] | 94.3 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 278 | 30 % PEG 400 0.2 M calcium acetate 0.1 M acetate buffer, pH 4.5 |