7ZON

Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.991873
Spacegroup name	C 1 2 1
Unit cell lengths	43.082, 111.970, 71.306
Unit cell angles	90.00, 100.32, 90.00

Refinement procedure

Resolution	39.640 - 1.770
R-factor	0.2013
Rwork	0.199
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zoh
RMSD bond length	0.006
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.640	1.840
High resolution limit [Å]	1.770	1.770
Rmerge	0.056	0.910
Number of reflections	31344	2569
<I/σ(I)>	14.65	1.37
Completeness [%]	97.0
Redundancy	6.7
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M citrate buffer pH 5.5 with 15 % w/v PEG 3350