8A0O
Crystal structure of poplar glutathione transferase U20 in complex with galangin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-04 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967700 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 56.634, 56.634, 181.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.720 - 1.837 |
| R-factor | 0.2185 |
| Rwork | 0.218 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a08 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.820 |
| 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] | 41.300 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.102 | |
| Number of reflections | 26724 | 1560 |
| <I/σ(I)> | 28.6 | 2.1 |
| Completeness [%] | 99.8 | |
| Redundancy | 25 | |
| CC(1/2) | 1.000 | 0.850 |
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 |
