3W6B

Crystal structure of catalytic domain of chitinase from Ralstonia sp. A-471

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-05
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	99.660, 99.660, 242.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.620 - 1.900
R-factor	0.1875
Rwork	0.185
R-free	0.22920
Structure solution method	MAD
RMSD bond length	0.022
RMSD bond angle	1.806
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.076	0.046	0.398
Number of reflections	55600
<I/σ(I)>	10.4
Completeness [%]	97.5	98.1	95.5
Redundancy	15.8	19.7	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	5% (w/v) PEG 8000, 167mM (NH4)3-citrate/ammonium hydroxide (pH 8.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	5% (w/v) PEG 8000, 167mM (NH4)3-citrate/ammonium hydroxide (pH 8.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K