5EDD
Crystal structure of Mycobacterium tuberculosis dUTPase R140K, H145W mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-18 |
| Detector | AGILENT EOS CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 63 |
| Unit cell lengths | 55.052, 55.052, 83.827 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.910 - 1.970 |
| R-factor | 0.16237 |
| Rwork | 0.160 |
| R-free | 0.21108 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3hza |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.005 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.910 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.130 | 0.497 |
| Number of reflections | 10220 | |
| <I/σ(I)> | 6.1 | 1.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.51 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.5 M ammonium sulfate, 0.1M Tris/HCl, 12% glycerol, 6.7 mM dUPnPP, 20 mM magnesium chloride |
