6SU7
Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.353, 119.362, 170.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.280 - 2.750 |
R-factor | 0.2578 |
Rwork | 0.256 |
R-free | 0.28730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nlm |
RMSD bond length | 0.002 |
RMSD bond angle | 0.531 |
Data reduction software | xia2 (0.5.5) |
Data scaling software | xia2 (0.5.5) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.280 | 2.840 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.152 | 0.824 |
Rpim | 0.073 | 0.382 |
Number of reflections | 50246 | 4826 |
<I/σ(I)> | 5.1 | 1.27 |
Completeness [%] | 99.3 | 97.08 |
Redundancy | 5.3 | 5.5 |
CC(1/2) | 0.995 | 0.538 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2M MGCL2, 0.1M HEPES pH 7.5, 25% PEG 3350 |