6XKG
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 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 | 2019-03-05 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.514 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.760, 65.012, 92.235 |
| Unit cell angles | 90.00, 124.73, 90.00 |
Refinement procedure
| Resolution | 32.860 - 1.550 |
| R-factor | 0.1642 |
| Rwork | 0.164 |
| R-free | 0.18260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t8u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.045 | 0.426 |
| Rmeas | 0.053 | 0.583 |
| Rpim | 0.027 | 0.396 |
| Number of reflections | 91530 | 4216 |
| <I/σ(I)> | 18.2 | 1.98 |
| Completeness [%] | 97.0 | 90.2 |
| Redundancy | 2.5 | |
| CC(1/2) | 0.748 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Protein: 15.5mg/ml 3ost3a, 4mM PAP, 5mM 8mer Nac/NS2S6S, 25mM Tris pH 7.5, 125mM NaCl, Reservoir: 0.1M Bicine and 10% MPD |
