3MMU

Crystal structure of endoglucanase Cel5A from the hyperthermophilic Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	87.584, 95.791, 103.497
Unit cell angles	64.08, 75.07, 68.73

Refinement procedure

Resolution	46.987 - 2.201
R-factor	0.2058
Rwork	0.205
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cen
RMSD bond length	0.013
RMSD bond angle	1.258
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	125889
Completeness [%]	94.1	74.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	0.02 M Nickel(II) chloride, 0.02 M Magnesium chloride, 0.02 M Cadmium chloride, 0.1 M Sodium acetate trihydrate pH 4.5 and 16 % of Polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298K