6PWR

Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc-beta1-2-Man

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	37.410, 45.714, 69.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.899 - 1.200
R-factor	0.1518
Rwork	0.151
R-free	0.16520
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.130	38.130	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.066	0.085	0.152
Rmeas	0.072	0.095	0.168
Rpim	0.028	0.040	0.070
Total number of observations	236463	1680	10162
Number of reflections	37766	283	1815
<I/σ(I)>	16.9	21.7	9.5
Completeness [%]	99.7	99.5	98.9
Redundancy	6.3	5.9	5.6
CC(1/2)	0.993	0.960	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	protein solution: 5 mg/ml protein, 5 mM CaCl2, 10 mM Tris-Cl, pH 8.0, 25 mM NaCl, and 50 mM GlcNAc-beta1-2Man. reservoir solution: 24% polyethylene glycol 8K, 0.1 HEPES pH 7.0.