8I65
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.130, 63.220, 45.380 |
| Unit cell angles | 90.00, 112.93, 90.00 |
Refinement procedure
| Resolution | 34.890 - 1.720 |
| R-factor | 0.19253 |
| Rwork | 0.189 |
| R-free | 0.25024 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ws4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.524 |
| 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] | 41.790 | 1.820 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.086 | 0.167 |
| Number of reflections | 20977 | 3046 |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 97.4 | |
| Redundancy | 2.3 | |
| CC(1/2) | 0.982 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 293 | 0.1 M Tris pH 8.5, 25% PEG (w/v) 3350 |
