3HZA
Crystal structure of dUTPase H145W 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 | 2008-12-12 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 63 |
| Unit cell lengths | 55.058, 55.058, 83.793 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.200 |
| R-factor | 0.1167 |
| Rwork | 0.117 |
| R-free | 0.15930 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2py4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.029 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 42370 | |
| <I/σ(I)> | 18.4 | 2.02 |
| Completeness [%] | 94.2 | 68.9 |
| Redundancy | 3.73 | 1.467 |
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 |
