5XC2

Crystal structure of GH family 81 beta-1,3-glucanase from Rhizomucr miehei complexed with laminarihexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-12
Detector	MAR CCD 130 mm
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	108.700, 99.020, 138.430
Unit cell angles	90.00, 111.35, 90.00

Refinement procedure

Resolution	29.730 - 2.700
R-factor	0.1777
Rwork	0.176
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k3a
RMSD bond length	0.009
RMSD bond angle	1.394
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.940
High resolution limit [Å]	2.700	2.700
Rmerge	0.102	0.638
Number of reflections	74950
<I/σ(I)>	10.37	2.36
Completeness [%]	99.5	99.16
Redundancy	17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	laminarihexaose (G6) was added to the protein solution at a final concentration of 1%(w/v). The complex crystals were obtained in a reservoir solution containing 24%(w/v) PEG4000, 80 mM Tris-HCl (pH 8.5), and 6%(v/v) MPD