6E9B

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-08
Detector	RAYONIX MX300HE
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	156.292, 242.207, 75.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.330 - 3.150
R-factor	0.224
Rwork	0.221
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e57
RMSD bond length	0.010
RMSD bond angle	1.320
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.340
High resolution limit [Å]	3.150	3.150
Number of reflections	50094	7894
<I/σ(I)>	15.6	1.73
Completeness [%]	99.8	99.7
Redundancy	7.42	7.44
CC(1/2)	0.999	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	296	0.2M lithium sulfate, 0.1M phosphate-citrate, 20% (w/v) PEG1000