8SFW
Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with quercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 45.884, 109.420, 165.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.916 - 2.750 |
| Rwork | 0.207 |
| R-free | 0.26410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.474 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmeas | 0.209 | 0.629 |
| Rpim | 0.086 | 0.258 |
| Number of reflections | 10446 | 434 |
| <I/σ(I)> | 11.8 | 1.9 |
| Completeness [%] | 92.0 | 79.9 |
| Redundancy | 5.7 | 5.4 |
| CC(1/2) | 0.960 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Quercetin dissolved in ETOH and let it evaporate on plate. Protein incubated with UDP. 0.2 M Ammonium acetate 0.1 M BIS-TRIS pH 6.5 25% w/v Polyethylene glycol 3,350 |
