7FH3
Crystal structure of the ATP sulfurylase domain of human PAPSS2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | H 3 |
Unit cell lengths | 179.859, 179.859, 79.289 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.270 - 1.800 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.19870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x6v |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 86380 | 8727 |
<I/σ(I)> | 11.4 | |
Completeness [%] | 98.1 | |
Redundancy | 9.1 | |
CC(1/2) | 0.979 | 0.365 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 277 | 200mM (NH4)2SO4, 0.1M HEPES, pH7.5, 25% PEG 3350 |