8I6A
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-10-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.580, 59.700, 75.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.730 - 2.000 |
| R-factor | 0.16997 |
| Rwork | 0.168 |
| R-free | 0.22079 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wrv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.599 |
| 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] | 46.730 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.033 | 0.169 |
| Number of reflections | 14172 | 1079 |
| <I/σ(I)> | 13.57 | |
| Completeness [%] | 96.4 | |
| Redundancy | 2 | |
| CC(1/2) | 0.995 | 0.903 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | 0.1 M Bis-Tris pH 6.5, 25% PEG (w/v) 3350 |
