3EHW
Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8031 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.446, 87.160, 70.608 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.15972 |
| Rwork | 0.158 |
| R-free | 0.19898 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q5u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.289 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 70417 | |
| <I/σ(I)> | 10.15 | 2.24 |
| Completeness [%] | 95.8 | 97.4 |
| Redundancy | 2.17 | 2.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES buffer, containing 20% PEG 3350 and 200 mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
