8XY0

Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-02
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	105.179, 41.783, 80.873
Unit cell angles	90.00, 90.52, 90.00

Refinement procedure

Resolution	44.270 - 1.900
R-factor	0.173
Rwork	0.171
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.068	0.348
Rmeas	0.078	0.434
Number of reflections	26490	3206
<I/σ(I)>	13.05	2.28
Completeness [%]	94.4	71.3
Redundancy	3.87	2.46
CC(1/2)	0.998	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.9	293	0.2 M ammonium iodide, 26% w/v PEG4,000