7ZOH

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

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	2020-03-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	34.041, 59.064, 68.032
Unit cell angles	90.98, 92.55, 105.64

Refinement procedure

Resolution	33.970 - 1.560
R-factor	0.1774
Rwork	0.175
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3llp
RMSD bond length	0.006
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.970	1.610
High resolution limit [Å]	1.560	1.560
Rmerge	0.075	1.130
Number of reflections	69506	6543
<I/σ(I)>	8.74	1.04
Completeness [%]	95.3	88.81
Redundancy	3.6	3.4
CC(1/2)	0.996	0.415

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