6PWS

Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of alpha-methyl mannoside

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	2018-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8157
Spacegroup name	P 21 21 21
Unit cell lengths	38.553, 45.915, 69.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.525 - 1.000
R-factor	0.1154
Rwork	0.115
R-free	0.12760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h2t
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.550	38.550	1.020
High resolution limit [Å]	1.000	5.480	1.000
Rmerge	0.033	0.034	0.119
Rmeas	0.036	0.038	0.131
Rpim	0.014	0.016	0.054
Total number of observations	429513	3044	18914
Number of reflections	67049	492	3239
<I/σ(I)>	33.5	57.5	12.3
Completeness [%]	99.7	99.9	98.5
Redundancy	6.4	6.2	5.8
CC(1/2)	0.998	0.989	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	290	protein solution: 4.2 mg/ml protein, 5 mM CaCl2, 10 mM Tris-Cl, pH 8.0, 25 mM NaCl, and 50 mM alpha-methyl mannoside. reservoir solution: 16% polyethylene glycol 4K, 0.1 MES, pH 5.5.