9ROB

Crystal structure of human CD22 Ig domains 1-3 in complex with modified sialoside 1B

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97851
Spacegroup name	I 21 21 21
Unit cell lengths	91.621, 111.099, 164.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.010 - 2.700
R-factor	0.2235
Rwork	0.221
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.560
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.010	2.860
High resolution limit [Å]	2.700	2.700
Number of reflections	23446	3716
<I/σ(I)>	19.62
Completeness [%]	99.9
Redundancy	12.03
CC(1/2)	0.990	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24% PEG 4000, 0.6 M NaCl, 0.1 M MES pH 6.5