2HR6
Crystal structure of dUTPase in complex with substrate analogue dUDP and manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8110 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 75.049, 75.049, 99.936 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.900 - 1.840 |
| R-factor | 0.15168 |
| Rwork | 0.151 |
| R-free | 0.17338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1euw |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.702 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.900 | 1.890 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 14703 | |
| <I/σ(I)> | 10.8 | 1.3 |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 12.6 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 20% PEG 3350, 0.2M SODIUM ACETATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
