6K0V

Catalytic domain of GH87 alpha-1,3-glucanase D1069A in complex with tetrasaccharides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-31
Detector	RAYONIX MX225-HS
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	75.865, 132.617, 131.773
Unit cell angles	90.00, 90.94, 90.00

Refinement procedure

Resolution	46.905 - 2.504
R-factor	0.1811
Rwork	0.179
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k0m
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.905	2.550
High resolution limit [Å]	2.504	2.504
Rmerge	0.133	0.682
Number of reflections	88523	4522
<I/σ(I)>	6.3	1.6
Completeness [%]	98.7	98.8
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.5 M (NH4)2SO4, 25% (v/v) glycerol