2DSK

Crystal structure of catalytic domain of hyperthermophilic chitinase from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-22
Detector	Bruker DIP-6040
Wavelength(s)	0.7
Spacegroup name	P 21 21 21
Unit cell lengths	89.959, 92.780, 107.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.190 - 1.500
R-factor	0.168
Rwork	0.168
R-free	0.18000
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	142710
Completeness [%]	99.5	98.8
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M MES, pH 6.5, 1.6M magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M MES, pH 6.5, 1.6M magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K