8AX1
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with hydroxy-tetranitro-nitrosyl-ruthenate
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) | 0.98140 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.590, 104.590, 108.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.710 - 1.650 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f43 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.090 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.064 | 0.783 |
Rmeas | 0.073 | 0.884 |
Number of reflections | 69693 | 5091 |
<I/σ(I)> | 16.9 | 2.16 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 4.6 | |
CC(1/2) | 1.000 | 0.740 |
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 |