2Z38

Crystal structure of chloride bound Brassica juncea chitinase catalytic module (Bjchi3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	48.475, 49.195, 100.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.630 - 1.800
R-factor	0.157
Rwork	0.155
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z37
RMSD bond length	0.010
RMSD bond angle	1.156
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.112	0.088	0.311
Number of reflections	23001
<I/σ(I)>	19.7
Completeness [%]	99.7	95.8	100
Redundancy	6.8	5.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	295	25% mono methyl PEG 5000, 0.5M LiCl, 0.1M cacodylate buffer, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K