8I61
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric 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 | 39.050, 63.650, 45.310 |
| Unit cell angles | 90.00, 112.82, 90.00 |
Refinement procedure
| Resolution | 23.850 - 1.240 |
| R-factor | 0.12323 |
| Rwork | 0.121 |
| R-free | 0.16304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ws4 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.059 |
| Data reduction software | iMOSFLM (7.2.2) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.310 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Number of reflections | 54220 | 7676 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 93.9 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.997 | 0.681 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 0.5 M Sodium citrate, 25% PEG (w/v) 3350 |
