9H6G

Inactive Bacteroides ovatus GH98 endoxylanase E361A in complex with arabino-xylooligosaccharide

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	2022-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.89842
Spacegroup name	C 1 2 1
Unit cell lengths	186.050, 63.485, 180.900
Unit cell angles	90.00, 118.44, 90.00

Refinement procedure

Resolution	53.020 - 2.800
Rwork	0.186
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.793
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.020	53.020	2.900
High resolution limit [Å]	2.800	10.840	2.800
Rmerge	0.220	0.036	1.143
Rmeas	0.259	0.043	1.341
Rpim	0.136	0.022	0.698
Number of reflections	46262	854	4534
<I/σ(I)>	6.2	21	1.5
Completeness [%]	99.9	99.1	99.8
Redundancy	6.9	6.4	7
CC(1/2)	0.982	0.999	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Vapour diffusion