8QY2

Xylanase from Bacillus circulans mutant E78Q/F125A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	78.714, 78.714, 131.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.580 - 1.700
R-factor	0.19164
Rwork	0.191
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.476
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.580	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	23035	1149
<I/σ(I)>	11.7
Completeness [%]	99.4
Redundancy	1.9
CC(1/2)	0.999	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	22.5 %v/v PEGSB, 0.2 M LiSO4, 0.05 M Zn Acet, 0.1 M BIS-TRIS pH 7.5