9SN9
Crystal structure of anthocyanin-related glutathione transferase from bilberry in complex with glutathione
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 | 2025-01-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979506 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.881, 82.904, 91.675 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.715 - 1.802 |
| Rwork | 0.171 |
| R-free | 0.21450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.964 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.720 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.567 |
| Number of reflections | 39704 | 2299 |
| <I/σ(I)> | 8.9 | 1.7 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 4.1 | |
| CC(1/2) | 1.000 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | Precipitating solution : - 25% PEG 4000 - 10% MPD 10% - 100 mM MES pH 6.5 Protein solution : - 10 mg/mL protein in Tris-HCl 30 mM pH 8.0 |
