5WV8

Crystal structure of a mutant insect group III chitinase (CAD1-E217L) from Ostrinia furnacalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	72.100, 72.100, 192.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.099 - 2.042
R-factor	0.1661
Rwork	0.165
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wup
RMSD bond length	0.007
RMSD bond angle	0.987
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.030	2.030
Number of reflections	35271
<I/σ(I)>	10.6
Completeness [%]	94.4	85
Redundancy	14.1	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	277	200mM ammonium sulfate, 100mM Bis-Tris pH 6.6, 21% PEG 3350