6LWU

Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A E19A with chitopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-08
Detector	MAR CCD 165 mm
Wavelength(s)	0.9792
Spacegroup name	H 3
Unit cell lengths	83.644, 83.644, 118.274
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.810 - 2.419
R-factor	0.205
Rwork	0.199
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4olt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.460
High resolution limit [Å]	2.419	6.560	2.420
Rmerge	0.043	0.034	0.094
Rmeas	0.046	0.036	0.099
Rpim	0.015	0.011	0.032
Number of reflections	11676	586	588
<I/σ(I)>	12.1
Completeness [%]	99.2	98.5	99.8
Redundancy	9.7	10.1	9.5
CC(1/2)		0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES, 10%PEG 8000, 8% (v/v) glycol,2% (w/v) chitopentaose