8I6C
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2021-04-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.510, 59.920, 75.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.580 - 2.280 |
R-factor | 0.21228 |
Rwork | 0.209 |
R-free | 0.27920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wrv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.587 |
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] | 39.550 | 2.362 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.067 | 0.382 |
Number of reflections | 9957 | 942 |
<I/σ(I)> | 6.84 | |
Completeness [%] | 98.3 | |
Redundancy | 2 | |
CC(1/2) | 0.989 | 0.869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | 0.1 M Bis-Tris pH 5.5, 0.5 M Sodium citrate, 25% PEG (w/v) 3350 |