8I64
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, 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 | 2020-08-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.070, 44.420, 67.760 |
| Unit cell angles | 90.00, 98.34, 90.00 |
Refinement procedure
| Resolution | 25.970 - 2.260 |
| R-factor | 0.1947 |
| Rwork | 0.191 |
| R-free | 0.25592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wru |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.580 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.960 | 2.341 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.085 | 0.366 |
| Number of reflections | 9672 | 945 |
| <I/σ(I)> | 5.86 | |
| Completeness [%] | 99.8 | |
| Redundancy | 2 | |
| CC(1/2) | 0.987 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 293 | 0.1 M Tris pH 8.5, 25% (w/v) PEG 3350 |
