5J06

Structure of the immune receptor CD33 in complex with 3'-sialyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.920
Spacegroup name	P 21 21 21
Unit cell lengths	65.050, 127.060, 142.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.255 - 2.660
R-factor	0.2106
Rwork	0.209
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ihb
RMSD bond length	0.003
RMSD bond angle	0.603
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2313: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.255	2.755
High resolution limit [Å]	2.660	2.660
Rmerge	0.090	0.919
Number of reflections	34631
<I/σ(I)>	11.7	1.48
Completeness [%]	100.0	100
Redundancy	4.3	4.4
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295.15	2% PEG 20,000, 4% PEG MME 500, 100 MM BICINE/TRIS BASE PH 8.5, 1XMORPHEUS AMINO ACIDS. CRYSTALS SOAKED IN 20 MM 3'-SIALYLLACTOSE IN MOTHER LIQUOR FOR 10 DAYS.