7B6B

The carbohydrate binding module family 48 (CBM48) and carboxy-terminal carbohydrate esterase family 1 (CE1) domains of the multidomain esterase DmCE1B from Dysgonomonas mossii in complex with methyl ferulate

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	2020-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	73.258, 50.511, 90.148
Unit cell angles	90.00, 100.14, 90.00

Refinement procedure

Resolution	43.900 - 1.410
R-factor	0.1621
Rwork	0.161
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b5v
RMSD bond length	0.009
RMSD bond angle	1.026
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.900	1.459
High resolution limit [Å]	1.408	1.408
Number of reflections	123374	10521
<I/σ(I)>	16.49	2.35
Completeness [%]	98.2	84.5
Redundancy	6.6	5.4
CC(1/2)	0.999	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	100 mM Tris pH 8, 25% PEG 6000