9I50

Crystal structure of feruloyl esterase from Fusarium oxysporum G122S variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	68.561, 89.261, 116.484
Unit cell angles	90.00, 101.72, 90.00

Refinement procedure

Resolution	114.050 - 1.900
Rwork	0.162
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.582
Data reduction software	XDS
Data scaling software	Aimless (8.0.016)
Phasing software	PHASER (8.0.016)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	114.050	114.050	1.930
High resolution limit [Å]	1.900	10.410	1.900
Rmerge	0.077	0.029	1.241
Rmeas	0.091	0.034	1.454
Rpim	0.048	0.018	0.752
Number of reflections	107339	696	5299
<I/σ(I)>	13	41.7	1.6
Completeness [%]	99.2	98.8	99.6
Redundancy	7	6.3	7.3
CC(1/2)	0.999	0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	35% (v/v) PEG400, 0.1M Tris-HCl pH 8.5