8I68
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric 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 | 2021-04-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.370, 60.020, 74.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.010 - 1.880 |
| R-factor | 0.21028 |
| Rwork | 0.208 |
| R-free | 0.26457 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wrv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.536 |
| 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] | 30.010 | 1.947 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.046 | 0.327 |
| Number of reflections | 16264 | 1504 |
| <I/σ(I)> | 8.82 | |
| Completeness [%] | 91.3 | |
| Redundancy | 2 | |
| CC(1/2) | 0.985 | 0.902 |
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 |
