2HQU
Human dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
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 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8124 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.409, 71.773, 76.475 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.20223 |
| Rwork | 0.200 |
| R-free | 0.25065 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1Q5U truncated at residue 146 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.415 |
| 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 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 21420 | |
| <I/σ(I)> | 9.21 | 3.69 |
| Completeness [%] | 99.1 | 99 |
| Redundancy | 1.2 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 18-20% PEG 3350, 0.1M Na-Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
