8SFT
Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with kaempferol
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 21 |
Unit cell lengths | 83.277, 159.906, 163.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.588 - 2.750 |
Rwork | 0.192 |
R-free | 0.23160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.518 |
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 | 2.820 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmeas | 0.183 | 0.846 |
Rpim | 0.072 | 0.313 |
Number of reflections | 56602 | 2850 |
<I/σ(I)> | 14 | 2.1 |
Completeness [%] | 95.7 | 98.4 |
Redundancy | 6.2 | 6.6 |
CC(1/2) | 0.985 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Protein incubated with 1 mM UDP and kaempferol dissolved in ethanol. 0.2 M Ammonium sulfate 0.1 M HEPES pH 7.5 25% PEG 3350 |