5JOV

Bacteroides ovatus Xyloglucan PUL GH31 with bound 5FIdoF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	76.906, 108.448, 144.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.280 - 1.500
R-factor	0.10927
Rwork	0.107
R-free	0.14702
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xvg
RMSD bond length	0.019
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.280	1.520
High resolution limit [Å]	1.500	1.500
Rmerge	0.089	0.910
Number of reflections	193532
<I/σ(I)>	12.2	1.6
Completeness [%]	99.7	94
Redundancy	7.8	5.4
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.2 M potassium thiocyanate, 14-20% (w/v) PEG-3350