4WS7
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-chlorouracil, 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 | 2013-01-18 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.370, 43.780, 67.230 |
| Unit cell angles | 90.00, 98.46, 90.00 |
Refinement procedure
| Resolution | 36.910 - 1.880 |
| R-factor | 0.14362 |
| Rwork | 0.142 |
| R-free | 0.18187 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.985 |
| 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] | 36.910 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.093 | 0.390 |
| Number of reflections | 16412 | |
| <I/σ(I)> | 9.6 | 2.8 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293 | Potassium bromide, Polyethylene glycol monomethyl ether 2000 |
