7ZOP

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

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	2020-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976259
Spacegroup name	C 1 2 1
Unit cell lengths	38.389, 113.049, 70.902
Unit cell angles	90.00, 98.95, 90.00

Refinement procedure

Resolution	43.990 - 1.680
R-factor	0.2185
Rwork	0.213
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zoh
RMSD bond length	0.007
RMSD bond angle	1.009
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.990	1.860
High resolution limit [Å]	1.680	1.680
Rmerge	0.100	0.810
Number of reflections	18228	911
<I/σ(I)>	8.6	1.2
Completeness [%]	87.4	47.3
Redundancy	6.6
CC(1/2)	0.997	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris pH 5.5 with 25 % w/v PEG 3350