6X2Q

Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose

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	2019-04-13
Detector	MAR CCD 130 mm
Wavelength(s)	0.97918
Spacegroup name	H 3
Unit cell lengths	83.756, 83.756, 117.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.609 - 2.270
Rwork	0.185
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ily
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.310
High resolution limit [Å]	2.270	6.160	2.270
Rmerge	0.043	0.041	0.083
Rmeas	0.050	0.048	0.095
Rpim	0.025	0.024	0.046
Total number of observations	60055
Number of reflections	13857	614	705
<I/σ(I)>	18.3
Completeness [%]	97.8	87	99.9
Redundancy	4.3	4.2	4.5
CC(1/2)		0.984	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Nacl, tris-HCl, pH8.0,glycol