4K35

The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	95.042, 118.802, 139.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.122 - 2.003
R-factor	0.1436
Rwork	0.143
R-free	0.17680
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.106
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge		0.313
Number of reflections	106346
<I/σ(I)>		9.75
Completeness [%]	99.9	98.3
Redundancy		9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG4000, Tris, MPD, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K