8I6D
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-08-20 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.980, 77.990, 59.370 |
| Unit cell angles | 90.00, 102.02, 90.00 |
Refinement procedure
| Resolution | 25.610 - 2.400 |
| R-factor | 0.2032 |
| Rwork | 0.200 |
| R-free | 0.26973 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ws4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.476 |
| 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] | 25.610 | 2.486 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.125 | 0.391 |
| Number of reflections | 15539 | 1513 |
| <I/σ(I)> | 5.55 | |
| Completeness [%] | 96.3 | |
| Redundancy | 2 | |
| CC(1/2) | 0.973 | 0.667 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293 | 0.1 M Tris pH 6.5, 1.4 M Sodium citrate, 15% PEG (w/v) 3350, 2% Benzamidine hydrochloride |
