2PY4
Full length structure of the Mycobacterium tuberculosis dUTPase complexed with magnesium and alpha,beta-imido-dUTP.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 |
Unit cell lengths | 54.591, 54.591, 83.051 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.440 - 1.490 |
R-factor | 0.14553 |
Rwork | 0.144 |
R-free | 0.16997 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mq7 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.992 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.580 |
High resolution limit [Å] | 1.490 | 1.490 |
Number of reflections | 21589 | |
<I/σ(I)> | 24.57 | 3.3 |
Completeness [%] | 94.1 | 70.5 |
Redundancy | 3.95 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.5M ammonium sulfate, 0.1M Tris/HCl, 12% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |