1OD3

Structure of CSCBM6-3 From Clostridium stercorarium in complex with laminaribiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	36.183, 52.154, 64.755
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 1.000
R-factor	0.132
Rwork	0.131
R-free	0.14600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nae
RMSD bond length	0.018
RMSD bond angle	2.003 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.060
High resolution limit [Å]	1.000	1.000
Rmerge	0.053	0.409
Number of reflections	61302
<I/σ(I)>	17.8	3.3
Completeness [%]	97.2	94.2
Redundancy	4.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17 (mg/ml)
2	1	reservoir	PEG4000	26 (%(w/v))
3	1	reservoir	sodium acetate	0.1 (M)	pH4.6
4	1	reservoir	ammonium sulfate	0.2 (M)