5Z34

The structure of a chitin deacetylase from Bombyx mori provide the first insight into insect chitin deacetylation mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-19
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97775
Spacegroup name	P 31 2 1
Unit cell lengths	115.017, 115.017, 106.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.964 - 2.399
R-factor	0.1759
Rwork	0.175
R-free	0.19130
RMSD bond length	0.010
RMSD bond angle	1.097
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	32284	1815
<I/σ(I)>	3	2.1
Completeness [%]	100.0	100
Redundancy	11.2	10.5
CC(1/2)	0.834	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.02M Calcium chloride dihydrate, 0.1M Sodium acetate trihydrate pH 4.6, 30% v/v (+/-)-2-Methyl-2,4-pentanediol