8AWZ
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with dinitrosyl glutathionyl iron complex (DNGIC)
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 | 2017-04-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.981401 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.430, 103.760, 107.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.357 - 1.549 |
R-factor | 0.1709 |
Rwork | 0.170 |
R-free | 0.19180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f43 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.901 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.360 | 1.590 |
High resolution limit [Å] | 1.549 | 1.549 |
Rmerge | 0.065 | 0.744 |
Rmeas | 0.074 | 0.873 |
Number of reflections | 82204 | 5668 |
<I/σ(I)> | 15.04 | 1.62 |
Completeness [%] | 99.3 | |
Redundancy | 4.4 | |
CC(1/2) | 1.000 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 277 | 30 % PEG 400, 0.2 M Calcium Acetate, 0.1 M Acetate Buffer, pH 4.5 |