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 |