7ZOI

Carbohydrate binding domain CBM92-A 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	2019-11-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.991874
Spacegroup name	P 21 21 21
Unit cell lengths	31.659, 53.712, 56.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.950 - 1.400
R-factor	0.2093
Rwork	0.205
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zoh
RMSD bond length	0.006
RMSD bond angle	0.876
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]	38.950	1.460
High resolution limit [Å]	1.400	1.400
Rmerge	0.060	0.710
Number of reflections	13501	675
<I/σ(I)>	17.3	3
Completeness [%]	94.2	70.1
Redundancy	12.3	10.6
CC(1/2)	0.998	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris pH 5.5 with 10 % w/v PEG 3350, 400 mM NH4SO4, and 10 mM urea