6JEN
Structure of Phytolacca americana UGT2 complexed with UDP-2fluoro-glucose and pterostilbene
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 | 2018-05-27 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.718, 136.883, 205.136 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.680 - 2.650 |
R-factor | 0.19699 |
Rwork | 0.194 |
R-free | 0.24763 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vch |
RMSD bond length | 0.009 |
RMSD bond angle | 1.551 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.071 | |
Rmeas | 0.077 | |
Number of reflections | 47340 | 4530 |
<I/σ(I)> | 15.7 | 2 |
Completeness [%] | 99.8 | 98.6 |
Redundancy | 6.6 | |
CC(1/2) | 0.694 |
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 23-25% w/v PEG 6000 |