3I93
Crystal structure of Mycobacterium tuberculosis dUTPase STOP138T 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 | 2008-12-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97861 |
| 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 - 1.800 |
| R-factor | 0.16623 |
| Rwork | 0.164 |
| R-free | 0.20611 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3hza |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.549 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | 0.503 |
| Number of reflections | 13306 | |
| <I/σ(I)> | 17.77 | 2.85 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 5.52 | 4.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.3 M Ammonium sulfate, 50 mM Tris-HCl, 12 % Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
