8R85

Xylanase from Bacillus circulans mutant E78Q/W9A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-11
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.8731
Spacegroup name	P 2 21 21
Unit cell lengths	43.001, 52.623, 72.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.630 - 1.300
R-factor	0.13891
Rwork	0.137
R-free	0.17197
Structure solution method	MOLECULAR REPLACEMENT
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]	42.630	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	40663	1806
<I/σ(I)>	12.2	1.2
Completeness [%]	98.8	90.6
Redundancy	1.8
CC(1/2)	0.999	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	18.182 %v/v PEGSH 0.1 M BICINE 9.16 pH