6X3Q
Hsa Siglec and Unique domains in complex with 3'sialyl-N-acetyllactosamine trisaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.743, 57.738, 75.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.420 - 2.150 |
R-factor | 0.2068 |
Rwork | 0.206 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6efc |
RMSD bond length | 0.024 |
RMSD bond angle | 2.353 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.18_3855) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rpim | 0.055 | 0.283 |
Number of reflections | 10881 | 539 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.6 | |
Redundancy | 4.6 | |
CC(1/2) | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 21.6 mg/mL protein in 20 mM Tris-HCl, pH 7.2 sitting drop vapor diffusion drops contain 1uL protein solution and 2uL reservoir solution. Reservoir solution: 0.1 M Succinate/Phosphate/Glycine pH 10.0 and 25% PEG 3350. Crystals were soaked with 5mM ligand for 20 hours, no cryoprotection was used beyond the reservoir buffer |