3TR7
Structure of a uracil-DNA glycosylase (ung) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-13 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.175, 54.633, 76.762 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.856 - 2.196 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.23680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.547 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.240 |
| High resolution limit [Å] | 2.195 | 5.960 | 2.195 |
| Rmerge | 0.070 | 0.047 | 0.351 |
| Number of reflections | 11784 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 98.8 | 97 | 91 |
| Redundancy | 4 | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 7.5 | 295 | 30% PEG 1500, pH 7.5, sitting drop, temperature 295K |
