8I69
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, 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 | 2020-10-18 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.110, 64.140, 45.280 |
Unit cell angles | 90.00, 112.48, 90.00 |
Refinement procedure
Resolution | 23.990 - 2.000 |
R-factor | 0.1767 |
Rwork | 0.174 |
R-free | 0.22482 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ws4 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.361 |
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] | 23.990 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.085 | 0.411 |
Number of reflections | 13394 | 1301 |
<I/σ(I)> | 7.63 | |
Completeness [%] | 95.3 | |
Redundancy | 2 | |
CC(1/2) | 0.991 | 0.610 |
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 |