1OF3

Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27

Experimental procedure

Experimental method	MAD
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 41 21 2
Unit cell lengths	69.078, 69.078, 229.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.19
Rwork	0.188
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.018 *
RMSD bond angle	1.545 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.065	0.246
Number of reflections	36721
<I/σ(I)>	21	8.1
Completeness [%]	100.0	100
Redundancy	8.0 *	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		1.6 M NA K PHOSPHATE, 0.1 M NA HEPES PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	reservoir	sodium potassium phosphate	1.6 (M)
3	1	reservoir	HEPES	0.1 (M)	pH7.5