7EEE

Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with gentiobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-14
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.9792
Spacegroup name	P 41 21 2
Unit cell lengths	63.354, 63.354, 137.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.574 - 1.661
R-factor	0.211042756125
Rwork	0.209
R-free	0.24208
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ee2
RMSD bond length	0.007
RMSD bond angle	0.818
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (dev_2474)
Refinement software	PHENIX (dev_2474)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.578	1.723
High resolution limit [Å]	1.660	1.663
Rmerge	0.058	0.058
Number of reflections	25816	25816
<I/σ(I)>	47.7
Completeness [%]	97.7
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.0075M Nike(II) chloride hexahydrate, 0.075M Tris pH 8.5, 0.75M Lithium sulfate monohydrate, 25% glycerol