8OWF

Clostridium perfringens chitinase CP4_3455 with chitosan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	50.436, 108.498, 111.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.740 - 1.300
R-factor	0.1455
Rwork	0.145
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.851
Data reduction software	XDS (20180126)
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.740	45.740	1.380
High resolution limit [Å]	1.300	3.890	1.300
Rmeas	0.055	0.023	1.155
Number of reflections	148328	5700	23194
<I/σ(I)>	14.07	58.62	1.31
Completeness [%]	98.5	95	96.5
Redundancy	3.77	3.87	3.31
CC(1/2)	0.999	0.999	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	PEGION A4: 0.2 M Lithium chloride, 20% w/v Polyethylene glycol 3,350, 1mM chitosan hexamer