6A6C

Crystal structure of carbohydrate-binding module family 56 beta-1,3-glucan binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0093
Spacegroup name	I 4 2 2
Unit cell lengths	67.424, 67.424, 74.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.472 - 2.050
R-factor	0.2162
Rwork	0.210
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h9x
RMSD bond length	0.008
RMSD bond angle	0.928
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.712	2.123
High resolution limit [Å]	2.050	2.050
Rmerge	0.105	0.412
Number of reflections	8208	537
<I/σ(I)>	25.86
Completeness [%]	87.7
Redundancy	18.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	14 mM sodium cholate,1.4 M di-ammonium tartrate, 20 days