6U4Z

Crystal Structure of a family 76 glycoside hydrolase from a bovine Bacteroides thetaiotaomicron strain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	80
Detector technology	CCD
Collection date	2018-03-24
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	55.420, 58.520, 159.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.137 - 1.400
R-factor	0.1809
Rwork	0.180
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c1s
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.137	47.137	1.450
High resolution limit [Å]	1.400	5.410	1.400
Rmerge	0.059	0.033	0.546
Rmeas	0.068	0.036	0.596
Total number of observations	847371
Number of reflections	102646	1971	9970
<I/σ(I)>	16.62	32.59	3.25
Completeness [%]	100.0	99.8	99.8
Redundancy	6.9	6.616	6.309
CC(1/2)	0.999	0.997	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% (w/v) PEG 1500, 100mM Sodium chloride, and 100mM Bis-TRIS-Propane pH 8.2