3ZQX

Carbohydrate-binding module CBM3b from the cellulosomal cellobiohydrolase 9A from Clostridium thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-17
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	50.036, 50.036, 122.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.330 - 1.040
R-factor	0.167
Rwork	0.167
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILD-TYPE MOLECULE OF SAME PROTEIN
RMSD bond length	0.006
RMSD bond angle	1.251
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: DEV_669))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.060
High resolution limit [Å]	1.040	1.040
Rmerge	0.050
Number of reflections	75775
<I/σ(I)>	52.9	3.4
Completeness [%]	97.5	95.4
Redundancy	10.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		30%(V/V) TERT-BUTANOL 0.1 M TRI-NA CITRATE DEHYDRATE, PH 5.6