5JOX

Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraDNJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 2 21
Unit cell lengths	75.778, 91.626, 154.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.580 - 1.800
R-factor	0.18164
Rwork	0.180
R-free	0.21618
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GH43B to be deposited
RMSD bond length	0.009
RMSD bond angle	1.447
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.580	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.128	1.140
Number of reflections	100168
<I/σ(I)>	8.5	1.2
Completeness [%]	99.9	100
Redundancy	7.5	7.2
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	292	0.1 M Tris pH 7.2 - 7.8, 0.18 M magnesium chloride and 12% (w/v) PEG-6000