4UQM
Crystal structure determination of uracil-DNA N-glycosylase (UNG) from Deinococcus radiodurans in complex with DNA - new insights into the role of the Leucine-loop for damage recognition and repair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-01 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 84.300, 98.720, 43.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.030 - 1.350 |
R-factor | 0.1838 |
Rwork | 0.182 |
R-free | 0.21083 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2boo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.719 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.380 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.040 | 0.600 |
Number of reflections | 78013 | |
<I/σ(I)> | 13 | 2.15 |
Completeness [%] | 95.7 | 91.7 |
Redundancy | 4.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 0.05M NACITRATE, PH4.6 20%(W/V) PEG3350 |