6XL8
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with no 6S sulfation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-16 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.514 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.217, 147.469, 51.037 |
| Unit cell angles | 90.00, 94.35, 90.00 |
Refinement procedure
| Resolution | 21.700 - 2.340 |
| R-factor | 0.2189 |
| Rwork | 0.216 |
| R-free | 0.27090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t8u |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.939 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmeas | 0.163 | 0.523 |
| Rpim | 0.089 | 0.326 |
| Number of reflections | 22494 | 923 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 94.8 | 77.2 |
| Redundancy | 3.1 | 2 |
| CC(1/2) | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Protein: 14mg/ml 3ost3a in 25mM Tris pH 7.5, 125mM NaCl, 4mM PAP and 5mM 8mer oligosaccharide Reservoir: 0.2M KI and 20%PEG3350 |
