5VKM

Crystal structure of human CD22 Ig domains 1-3 in complex with alpha 2-6 sialyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-09
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	124.283, 57.912, 48.081
Unit cell angles	90.00, 106.99, 90.00

Refinement procedure

Resolution	36.886 - 2.200
R-factor	0.2147
Rwork	0.210
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vkj
RMSD bond length	0.003
RMSD bond angle	0.608
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.886	2.940	2.280
High resolution limit [Å]	2.200	2.790	2.200
Rmerge	0.106	0.165	0.549
Rmeas		0.192
Rpim			0.333
Number of reflections	16865	1183
<I/σ(I)>	9.9	8.4	1.6
Completeness [%]	99.6	99.7	99.8
Redundancy	3.8	3.803	3.8
CC(1/2)	0.995	0.983	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	30% PEG 4000, 0.2 M lithium chloride and 0.1 M Tris pH 8.5