6INI
a glycosyltransferase complex with UDP and the product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 97.662, 97.662, 89.626 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.880 - 1.700 |
| R-factor | 0.16259 |
| Rwork | 0.161 |
| R-free | 0.19016 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pq6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.627 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.880 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.084 | 1.139 |
| Rmeas | 0.088 | 1.201 |
| Rpim | 0.027 | 0.380 |
| Number of reflections | 54657 | 4025 |
| <I/σ(I)> | 18.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium citrate buffer at pH 5.4 and 20% PEG 4000 |
