9H6H

Bacteroides ovatus GH98 endoxylanase with Seleno-methionine substituents

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)	0.97950
Spacegroup name	C 1 2 1
Unit cell lengths	183.914, 62.447, 178.713
Unit cell angles	90.00, 118.06, 90.00

Refinement procedure

Resolution	58.400 - 2.000
Rwork	0.192
R-free	0.24180
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.594
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.470	58.400	2.030
High resolution limit [Å]	2.000	10.950	2.000
Number of reflections	121030	812	5917
<I/σ(I)>	5.5	15.1	1.1
Completeness [%]	99.8
Redundancy	19.4
CC(1/2)	0.987	0.997	0.397

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294	PEG based