8I6B
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2021-07-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.160, 63.680, 45.190 |
Unit cell angles | 90.00, 112.58, 90.00 |
Refinement procedure
Resolution | 30.490 - 1.600 |
R-factor | 0.15057 |
Rwork | 0.149 |
R-free | 0.18160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ws4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.781 |
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] | 30.490 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.037 | 0.144 |
Number of reflections | 25418 | 2415 |
<I/σ(I)> | 11.77 | |
Completeness [%] | 93.7 | |
Redundancy | 2 | |
CC(1/2) | 0.995 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.5 | 293 | 0.1 M Tris pH 5.5, 25% PEG (w/v) 3350 |