6E61

Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A in complex with mixed-linkage heptasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-3
Synchrotron site	SSRL
Beamline	BL9-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	86.826, 92.943, 155.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.650 - 2.510
R-factor	0.1754
Rwork	0.173
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dk2
RMSD bond length	0.005
RMSD bond angle	0.958
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.660
High resolution limit [Å]	2.510	2.510
Number of reflections	43053	6405
<I/σ(I)>	14.61	3.51
Completeness [%]	98.6	92.3
Redundancy	6.49	5.37
CC(1/2)	0.997	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	296	0.2M magnesium chloride, 0.1M HEPES, 25% (w/v) PEG3350