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 |