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 |