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 |
