8BF3

Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose

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	2020-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	65.580, 99.350, 132.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.470 - 1.190
R-factor	0.1169
Rwork	0.117
R-free	0.13770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bbp
RMSD bond length	0.006
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.470	1.230
High resolution limit [Å]	1.190	1.190
Number of reflections	272728	177374
<I/σ(I)>	17.57
Completeness [%]	98.5
Redundancy	12
CC(1/2)	1.000	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% PEG6000; 0.1M HEPES pH 7; 0.2M LiCl