6VBA
Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-02-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979458 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 73.648, 54.775, 59.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.450 - 1.800 |
R-factor | 0.182 |
Rwork | 0.179 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1akz |
RMSD bond length | 0.004 |
RMSD bond angle | 0.877 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.450 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.125 | 1.127 |
Number of reflections | 247193 | 19459 |
<I/σ(I)> | 15 | |
Completeness [%] | 94.9 | |
Redundancy | 11.2 | |
CC(1/2) | 0.998 | 0.656 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 2mM TRIS pH 8.5, 20 mM Mgcl2, 21% PEG8000, ATA inhibitor was co-crystallized with the UDG protein with a concentration of circa 4mM in solution |