6B15

Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	CCD
Collection date	2015-04-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 31 1 2
Unit cell lengths	131.730, 131.730, 151.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.020 - 2.100
R-factor	0.2011
Rwork	0.200
R-free	0.22880
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.730
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]	36.020	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.092	0.561
Rpim	0.039	0.237
Number of reflections	86483	8664
<I/σ(I)>	7.86	2.03
Completeness [%]	98.5	99.38
Redundancy	6.5	6.4
CC(1/2)	0.995	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	60% Tacsimate, 0.1 M Bis-Tris Propane, pH 7.0