8A0Q
Crystal structure of poplar glutathione transferase U20 in complex with baicalein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 56.120, 56.120, 181.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.650 - 2.048 |
| R-factor | 0.2186 |
| Rwork | 0.217 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a08 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.880 |
| 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] | 47.700 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.054 | |
| Number of reflections | 19240 | 1370 |
| <I/σ(I)> | 35.2 | 4 |
| Completeness [%] | 99.9 | |
| Redundancy | 26 | |
| CC(1/2) | 1.000 | 0.960 |
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 |
