3ALG

Crystal Structure of Class V Chitinase (E115Q mutant) from Nicotiana tobaccum in complex with NAG4

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	2010-05-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	62.195, 119.912, 51.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.560 - 1.800
Rwork	0.164
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 3ALF
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.121
Number of reflections	37240
<I/σ(I)>	54.7	20
Completeness [%]	99.7	95
Redundancy	8.1	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0.1M Tris-HCl, 1.7-2.2M ammonium dihydrogen phosphate, pH 8.5, VAPOR DIFFUSION, temperature 293K