6GX1
Blood group synthase AAGlyB in complex with UDP-GalNAc and cryoprotected with PEG 3350
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.072 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.635, 148.386, 79.816 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.600 |
| R-factor | 0.1648 |
| Rwork | 0.163 |
| R-free | 0.19775 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3zgg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.535 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.130 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 41668 | |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | MOPS buffer, Magnesium sulfate, ammonium sulfate and PEG 3350 |
