8Y1W
Crystal structure of Thermococcus pacificus dUTPase complexed with dUMP.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 52.616, 52.616, 87.519 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.760 - 1.360 |
| R-factor | 0.1515 |
| Rwork | 0.150 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.367 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.21-5207) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.760 | 1.400 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.100 | 0.790 |
| Rmeas | 0.100 | 0.810 |
| Number of reflections | 29438 | 2280 |
| <I/σ(I)> | 20.5 | 3.8 |
| Completeness [%] | 99.2 | |
| Redundancy | 11.1 | |
| CC(1/2) | 0.990 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293.15 | 56 mM sodium phosphate, 1.34 M potassium phosphate (pH 8.2) |
