5JP0

Bacteroides ovatus Xyloglucan PUL GH3B with bound glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.920
Spacegroup name	P 21 21 21
Unit cell lengths	97.169, 104.068, 160.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.570 - 2.300
R-factor	0.17863
Rwork	0.177
R-free	0.21086
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ex1
RMSD bond length	0.010
RMSD bond angle	1.412
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.570	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.151	0.923
Number of reflections	72918
<I/σ(I)>	11.4	2.1
Completeness [%]	99.9	100
Redundancy	8.1	8.5
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.2 M sodium acetate, 15-25% PEG-3350