8I62
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric 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 | 39.280, 63.910, 45.280 |
| Unit cell angles | 90.00, 112.70, 90.00 |
Refinement procedure
| Resolution | 36.260 - 1.260 |
| R-factor | 0.11059 |
| Rwork | 0.109 |
| R-free | 0.14319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ws4 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.022 |
| 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] | 36.240 | 1.320 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.043 | 0.221 |
| Number of reflections | 55586 | 7932 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 99.1 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.998 | 0.948 |
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 |
