6JEM
Structure of Phytolacca americana UGT2 complexed with UDP-2fluoro-glucose and resveratrol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-16 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.374, 137.616, 208.956 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.850 - 2.600 |
R-factor | 0.19573 |
Rwork | 0.193 |
R-free | 0.25225 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vch |
RMSD bond length | 0.009 |
RMSD bond angle | 1.558 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.086 | |
Rmeas | 0.040 | 0.514 |
Number of reflections | 51665 | 2535 |
<I/σ(I)> | 25.9 | 1.5 |
Completeness [%] | 99.0 | 100 |
Redundancy | 6.8 | 7.2 |
CC(1/2) | 0.689 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.11 M potassium citrate 0.06 M lithium citrate 0.11 M sodium phosphate 23% w/v PEG 6000 |