1O8S

Structure of CsCBM6-3 from Clostridium stercorarium in complex with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	36.090, 52.069, 64.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 1.350 *
R-factor	0.124
Rwork	0.123
R-free	0.14900
Structure solution method	MAD
Starting model (for MR)	1gmm
RMSD bond length	0.017
RMSD bond angle	1.799
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.210
High resolution limit [Å]	1.350 *	1.350 *
Rmerge	0.072	0.162 *
Number of reflections	66726
<I/σ(I)>	15.6	2.8
Completeness [%]	97.8	86.5 *
Redundancy	3.7	3.2 *

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)