8A0I
Crystal structure of poplar glutathione transferase U20 in complex with glutathionylphenylacetophenone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-19 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98012 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 56.620, 56.620, 181.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.450 - 1.624 |
R-factor | 0.2114 |
Rwork | 0.210 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8a08 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.860 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.500 | 1.670 |
High resolution limit [Å] | 1.624 | 1.624 |
Rmerge | 0.064 | |
Number of reflections | 38378 | 2678 |
<I/σ(I)> | 28.6 | 2.1 |
Completeness [%] | 99.7 | 95.5 |
Redundancy | 25 | |
CC(1/2) | 1.000 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 277 | 200 mM calcium chloride, 100 mM Tris-HCl pH 8.5, 20 % w/v PEG 4000 |