9RO7

Crystal structure of human CD22 Ig domains 1-3 in complex with modified sialoside 7-012

This is a non-PDB format compatible entry.

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	PIXEL
Collection date	2017-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	P 21 21 21
Unit cell lengths	102.395, 113.294, 138.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.425 - 3.150
R-factor	0.242
Rwork	0.239
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.709
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.425	3.320
High resolution limit [Å]	3.150	3.150
Number of reflections	28599	4415
<I/σ(I)>	7.7
Completeness [%]	99.4
Redundancy	5.897
CC(1/2)	0.990	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 0.2 M ammonium sulphate