5CCT
Staphylococcus bacteriophage 80alpha dUTPase G164S mutant with dUpNHpp.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 87.464, 87.464, 87.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.730 - 2.400 |
| R-factor | 0.2172 |
| Rwork | 0.216 |
| R-free | 0.24930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zez |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.609 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.730 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.338 | |
| Number of reflections | 8960 | |
| <I/σ(I)> | 13.4 | 4.9 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 5.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | 18% ethanol, 0.1M Tris-HCl pH 8.5 |
