5VKJ

Crystal structure of human CD22 Ig domains 1-3

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	2016-09-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	126.807, 56.569, 49.434
Unit cell angles	90.00, 110.70, 90.00

Refinement procedure

Resolution	46.242 - 2.120
R-factor	0.2037
Rwork	0.202
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Crystal structure from a different crystal obtained with this construct by MAD phasing with heavy atom
RMSD bond length	0.002
RMSD bond angle	0.537
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.242	2.200
High resolution limit [Å]	2.120	2.120
Rmerge	0.063	0.457
Rpim		0.229
Number of reflections	18725	1848
<I/σ(I)>	15.8	2.3
Completeness [%]	99.8	99.8
Redundancy	3.8	3.8
CC(1/2)	0.999	0.801

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