7EEJ

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

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	64.376, 64.376, 139.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.790 - 1.478
R-factor	0.18414087079
Rwork	0.182
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ee2
RMSD bond length	0.007
RMSD bond angle	0.892
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]	28.790	1.531
High resolution limit [Å]	1.477	1.479
Rmerge	0.048	0.048
Number of reflections	39513	39513
<I/σ(I)>	33.1
Completeness [%]	96.1
Redundancy	4.9

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