2EQD

Crystal structure of Cel44A, GH family 44 endoglucanase from Clostridium thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2005-12-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.486, 59.299, 168.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.800
R-factor	0.204
Rwork	0.204
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e4t
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	13039
<I/σ(I)>	16.1	3.89
Completeness [%]	99.3	94.9
Redundancy	6.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES-NaOH pH6.5, 6mM ZnSO4, 16%(w/v) PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 293K