6SGF

Molecular insight into a new low affinity xylan binding module CBM86, from the xylanolytic gut symbiont Roseburia intestinalis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-06-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 65
Unit cell lengths	141.870, 141.870, 60.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.438 - 1.756
R-factor	0.1806
Rwork	0.179
R-free	0.22430
Structure solution method	MAD
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.438	46.364	1.850
High resolution limit [Å]	1.756	5.550	1.760
Rmerge		0.035	0.528
Rmeas	0.080	0.053	0.711
Rpim	0.032	0.020	0.423
Total number of observations		14514	18295
Number of reflections	127404	2299	8060
<I/σ(I)>	14.8	30.8	2.2
Completeness [%]	97.0	99.7	80.7
Redundancy	5.8	6.3	2.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	278	Crystal grew for 2 days at 5 C with a 1:1 ratio of the protein (18 mg/mL in 10 mM MES pH 6.5,150 mM NaCl and 1mM xylohexaose) and reservoir solution (0.2 M Cadmium chloride hemi(pentahydrate), 0.1 M Sodium acetate pH 4.8 and PEG 400 35 % v/v).