7BLG

Structure of CBM BT3015C from Bacteroides thetaiotaomicron in complex with galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	36.853, 34.524, 47.746
Unit cell angles	90.00, 98.95, 90.00

Refinement procedure

Resolution	36.400 - 1.180
R-factor	0.1582
Rwork	0.157
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a41
RMSD bond length	0.005
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.400	1.190
High resolution limit [Å]	1.170	1.170
Number of reflections	35097	1844
<I/σ(I)>	12.5
Completeness [%]	88.8
Redundancy	3.6
CC(1/2)	0.990	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein at 8mg/ml 0.12 M monosaccharides (0.2 M D Glucose; 0.2 M D Mannose; 0.2 M D Galactose; 0.2 M L Fucose; 0.2M D Xylose; 0.2 M N Acetyl D Glucosamine), 0.1 M buffer system (1.0 M pH 7.5 Sodium HEPES; MOPS) and 37.5% precipitant (25% v/v MPD; 25% w/v PEG 1000; 25% w/v PEG 3350)