8C8I
Human dUTPase in complex with a potent proteinaceous inhibitor (Stl)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.450, 82.660, 139.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.690 - 3.200 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.694 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.100 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 1.077 | |
Number of reflections | 15601 | 2232 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | Ammonium sulfate, Sodium acetate |