6AZ5

Crystal structure of CBMd (family CBM41) from Eubacterium rectale Amy13K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	80
Detector technology	CCD
Collection date	2016-12-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	51.000, 51.000, 151.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.280 - 2.200
R-factor	0.2339
Rwork	0.232
R-free	0.25550
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.838
Data reduction software	iMOSFLM (7.1.2)
Data scaling software	Aimless (0.5.8)
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.280	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.176
Rpim	0.019	0.043
Number of reflections	6492	608
<I/σ(I)>	15.08	9.98
Completeness [%]	99.9	100
Redundancy	16.9	17.6
CC(1/2)	0.999	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	50% pentaerythritol propoxylate (5/4 PO/OH), 0.1 M Tris-HCl pH 8.0