Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-23 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 217.558, 108.448, 63.093 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 48.529 - 2.338 |
| Rwork | 0.171 |
| R-free | 0.20310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y08 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.448 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.530 | 2.380 |
| High resolution limit [Å] | 2.338 | 2.340 |
| Rmerge | 0.229 | 0.877 |
| Rmeas | 0.255 | 0.978 |
| Rpim | 0.112 | 0.426 |
| Number of reflections | 60351 | 3005 |
| <I/σ(I)> | 5.3 | 1 |
| Completeness [%] | 97.7 | 98.8 |
| Redundancy | 4.96 | 5 |
| CC(1/2) | 0.335 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294.15 | 0.12 M monosaccharides mix (0.2M D-Glucose; 0.2M D-Mannose; 0.2M D-Galactose; 0.2M L-Fucose; 0.2M D- Xylose; 0.2M N-Acetyl-D-Glucosamine), 0.1 M buffer system 3 (Tris (base); BICINE; pH 8.5), 30 % v/v precipitant mix 1 (40% v/v PEG 500* MME; 20 % w/v PEG 20000) |
