5ZNS

Insect chitin deacetylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979452
Spacegroup name	I 4
Unit cell lengths	134.941, 134.941, 77.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.526 - 2.396
R-factor	0.1647
Rwork	0.163
R-free	0.18990
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.032
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.396	2.396
Number of reflections	27348	1364
<I/σ(I)>	17.9
Completeness [%]	100.0
Redundancy	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	0.2M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3350