9KCZ

Crystal structure of Bacteroides ovatus KduI1 responsible for metabolism of glycosaminoglycan

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	2021-02-12
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	102.121, 99.372, 102.279
Unit cell angles	90.00, 119.72, 90.00

Refinement procedure

Resolution	45.600 - 1.890
R-factor	0.19495
Rwork	0.193
R-free	0.22416
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.061
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	2.000
High resolution limit [Å]	1.890	1.890
Rmerge	0.051	0.680
Rmeas	0.062	0.843
Number of reflections	264658	34658
<I/σ(I)>	11.75
Completeness [%]	94.3	76.3
Redundancy	2.91	2.44
CC(1/2)	0.998	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG 10000, glycerol, TRIS, sodium chloride