5WVF

Crystal structure of a mutant insect group III chitinase (CAD2-E647L) 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	2015-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	71.475, 71.475, 175.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.883 - 2.399
R-factor	0.2095
Rwork	0.207
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wus
RMSD bond length	0.008
RMSD bond angle	1.135
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.440
High resolution limit [Å]	2.399	2.399
Number of reflections	18731
<I/σ(I)>	11.1
Completeness [%]	99.6	100
Redundancy	13.5	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	277	200mM tri-sodium citrate dihydrate, 20% PEG3350