3LOJ
Structure of Mycobacterium tuberculosis dUTPase H145A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-07 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9769 |
| 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 | 30.000 - 1.250 |
| Rwork | 0.128 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2py4 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.035 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.300 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.041 | 0.631 |
| Number of reflections | 39304 | |
| <I/σ(I)> | 24.73 | 3.87 |
| Completeness [%] | 98.5 | 97.2 |
| Redundancy | 9 | 8.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Ammonium Sulphate, Tris-HCl, Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
