2CWR

Crystal structure of chitin biding domain of chitinase from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-14
Detector	RIGAKU JUPITER
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	48.827, 48.827, 84.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.060 - 1.700
R-factor	0.194
Rwork	0.194
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	BBS
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.076	0.233
Number of reflections	11986
<I/σ(I)>		3
Completeness [%]	96.8	80.5
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 8000, magnesium acetate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K