4WS0
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (A), Form II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-07-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.820, 43.670, 67.650 |
| Unit cell angles | 90.00, 99.11, 90.00 |
Refinement procedure
| Resolution | 36.890 - 1.974 |
| R-factor | 0.16755 |
| Rwork | 0.165 |
| R-free | 0.21805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.836 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.890 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.089 | 0.231 |
| Number of reflections | 14239 | |
| <I/σ(I)> | 10.3 | 4.9 |
| Completeness [%] | 98.7 | 91.2 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 293 | Sodium acetate trihydrate, Tris HCl, PEG 4000, 1,3-butanediol |
