9RM3

Crystal structure of human CD22 Ig domains 1-3 in complex with modified sialoside 17

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	CCD
Collection date	2017-12-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	97.256, 114.081, 155.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.202 - 2.857
R-factor	0.2441
Rwork	0.242
R-free	0.28930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.610
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.202	9.900	3.030
High resolution limit [Å]	2.850	8.460	2.860
Rmerge	0.140	0.059	1.679
Rmeas	0.175	0.072	2.150
Number of reflections	40725	913	4225
<I/σ(I)>	4.45
Completeness [%]	99.8
Redundancy	13.21
CC(1/2)	0.993	0.997	0.198

Crystallization Conditions

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