6IJD
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with quercetin
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL17A |
Synchrotron site | NSRRC |
Beamline | BL17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98000 |
Spacegroup name | I 41 |
Unit cell lengths | 81.100, 81.100, 341.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.550 - 3.206 |
R-factor | 0.2057 |
Rwork | 0.202 |
R-free | 0.27710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ij7 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.000 | 3.260 |
High resolution limit [Å] | 3.200 | 8.000 | 3.200 |
Rmerge | 0.100 | 0.015 | 0.734 |
Rmeas | 0.108 | 0.016 | 0.806 |
Rpim | 0.042 | 0.006 | 0.327 |
Number of reflections | 17964 | 923 | 893 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 99.7 | 99.8 | 99.4 |
Redundancy | 6.6 | 6.2 | 5.5 |
CC(1/2) | 0.999 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES pH 7.5, 0.8M potassium phosphate dibasic and 0.8M sodium phosphate monobasic |