3ALF

Crystal Structure of Class V Chitinase from Nicotiana tobaccum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2009-11-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97897
Spacegroup name	P 21 21 2
Unit cell lengths	62.395, 120.292, 51.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.910 - 1.200
R-factor	0.176
Rwork	0.176
R-free	0.18700
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.075	0.259
Number of reflections	120764
<I/σ(I)>	49.5	9.2
Completeness [%]	98.5	96.6
Redundancy	13.5	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	100mM Tris-HCl, 1.7-2.2M ammonium dihydrogen phosphate, pH 8.5, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	8.5	293	100mM Tris-HCl, 1.7-2.2M ammonium dihydrogen phosphate, pH 8.5, VAPOR DIFFUSION, temperature 293K