6QVT
CMP-Sialic acid bound structure of the human wild type Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6Gal1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.661, 93.921, 63.718 |
| Unit cell angles | 90.00, 94.39, 90.00 |
Refinement procedure
| Resolution | 48.346 - 1.700 |
| R-factor | 0.1828 |
| Rwork | 0.182 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4js1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.813 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.346 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.042 | 0.614 |
| Rmeas | 0.050 | 0.721 |
| Rpim | 0.026 | 0.376 |
| Number of reflections | 104377 | 10330 |
| <I/σ(I)> | 13.87 | 1.1 |
| Completeness [%] | 98.7 | 97.78 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 0.1 M Ammonium Acetate, 10% (w/v) PEG 6000 |
