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 |
