8XJQ
Crystal structure of a sulfotransferase S4 in complex with PAP and PNPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17UM |
| Synchrotron site | SSRF |
| Beamline | BL17UM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.045, 78.045, 140.124 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.350 - 1.780 |
| R-factor | 0.1791 |
| Rwork | 0.178 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.157 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.350 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.073 | 0.970 |
| Rmeas | 0.075 | 1.001 |
| Rpim | 0.014 | 0.241 |
| Total number of observations | 1169870 | 37959 |
| Number of reflections | 42303 | 2339 |
| <I/σ(I)> | 33 | 2.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 27.7 | 16.2 |
| CC(1/2) | 1.000 | 0.878 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.6 M (NH4)2SO4, 0.1 M MES pH 6.0, 1% dextran sulfate sodium salt 8000 |
