8BBP

Crystal structure of feruloyl esterase wtsFae1B

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	2020-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.65
Spacegroup name	P 21 21 21
Unit cell lengths	65.320, 132.510, 98.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.130 - 1.070
R-factor	0.1221
Rwork	0.122
R-free	0.13640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rzn
RMSD bond length	0.006
RMSD bond angle	0.907
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]	49.410	1.120
High resolution limit [Å]	1.070	1.070
Number of reflections	377200	59686
<I/σ(I)>	1.03
Completeness [%]	99.7
Redundancy	13.63
CC(1/2)	1.000	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	20% PEG6000; 0.1M HEPES pH 7; 0.2M LiCl