9SN7
Crystal structure of anthocyanin-related glutathione transferase from poplar in complex with quercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM07 |
| Synchrotron site | ESRF |
| Beamline | BM07 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979510 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.639, 55.412, 54.894 |
| Unit cell angles | 90.00, 119.81, 90.00 |
Refinement procedure
| Resolution | 47.629 - 1.400 |
| Rwork | 0.142 |
| R-free | 0.17240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.978 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.100)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.630 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.027 | |
| Number of reflections | 43970 | 1748 |
| <I/σ(I)> | 22.6 | |
| Completeness [%] | 95.5 | 76.5 |
| Redundancy | 3.7 | 2.7 |
| CC(1/2) | 1.000 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 277 | Precipitating solution : - 25 % w/v PEG 4000 - 100 mM MES pH 6.5 - 200 mM MgCl2 Protein solution : 10mg/ml protein in 20 mM Tris pH 8.0 - 5mM DTT - 10mM L-Cystein - 2.1mM Quercetin |
