4TXG

Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-12-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	126.866, 126.866, 93.815
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.973 - 1.750
R-factor	0.1581
Rwork	0.157
R-free	0.17580
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.034
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000		1.790
High resolution limit [Å]	1.750	7.820	1.750
Rmerge	0.078	0.036	0.425
Rmeas	0.084	0.039	0.529
Total number of observations	1085043
Number of reflections	169502	1887	11667
<I/σ(I)>	16.48	45.51	2.37
Completeness [%]	99.2	98.6	92
Redundancy	6.4		2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	200mM Litium Sulphate, 100mM Hepes pH 7.5, 25% Peg 3350