8AGQ
Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-04 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.999995 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.948, 55.447, 54.787 |
| Unit cell angles | 90.00, 113.55, 90.00 |
Refinement procedure
| Resolution | 38.496 - 1.093 |
| Rwork | 0.132 |
| R-free | 0.14880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f07 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.727 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.496 | 1.110 |
| High resolution limit [Å] | 1.093 | 1.093 |
| Rmerge | 0.051 | 0.608 |
| Rmeas | 0.055 | 0.667 |
| Number of reflections | 101092 | 5007 |
| <I/σ(I)> | 15.7 | 2.3 |
| Completeness [%] | 99.2 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.999 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 277 | 1 part protein solution (30mM Tris pH 8, 200mM NaCl, 1mM EDTA) 1 part buffer (100mM MES pH 6.4, 200mM MgCl2, 17.9% PEG200) |
