8GKN
Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with S-naringenin
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 | 2022-03-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.728, 167.566, 63.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.751 - 2.700 |
| Rwork | 0.178 |
| R-free | 0.24160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.351 |
| 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 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmeas | 0.149 | 1.133 |
| Rpim | 0.055 | 0.430 |
| Number of reflections | 26941 | 1348 |
| <I/σ(I)> | 17.2 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 6.8 |
| CC(1/2) | 0.996 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Protein incubated with 1mM UDP- 5 mM naringenin, 0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |
