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 |
