8I66
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2020-11-04 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.120, 63.970, 45.390 |
Unit cell angles | 90.00, 112.29, 90.00 |
Refinement procedure
Resolution | 36.220 - 2.600 |
R-factor | 0.18138 |
Rwork | 0.178 |
R-free | 0.23415 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ws4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.496 |
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] | 42.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.176 | 0.653 |
Number of reflections | 6291 | 893 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 97.6 | |
Redundancy | 3.7 | |
CC(1/2) | 0.976 | 0.647 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 293 | 0.1 M Bis-Tris pH 5.5, 0.5 M Sodium citrate, 25% PEG (w/v) 3350 |