2C24

FAMILY 30 CARBOHYDRATE-BINDING MODULE OF CELLULOSOMAL CELLULASE CEL9D- CEL44B OF CLOSTRIDIUM THERMOCELLUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	66.579, 85.475, 88.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.270
R-factor	0.221
Rwork	0.216
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wmx
RMSD bond length	0.007
RMSD bond angle	1.031
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.270	2.270
Rmerge	0.080	0.320
Number of reflections	24116
<I/σ(I)>	18.6	5.9
Completeness [%]	99.9	100
Redundancy	6.3	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1