8Y1M

Xylanase R from Bacillus sp. TAR-1 complexed with xylobiose.

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	2021-10-23
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	88.702, 53.335, 96.567
Unit cell angles	90.00, 93.58, 90.00

Refinement procedure

Resolution	44.260 - 1.800
R-factor	0.1677
Rwork	0.166
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.046	0.476
Rmeas	0.054	0.565
Number of reflections	82976	12885
<I/σ(I)>	16.8	2.49
Completeness [%]	97.5	94.8
Redundancy	3.39	3.35
CC(1/2)	0.999	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	293	0.02 M CaCl2, 0.1 M CH3COONa, 22% v/v 2-methyl-2,4-pentanediol, 0.35 M xylobiose