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 |
