9BUG

Hydrolase domain of Chitinase 1 from Enterobacter cloacae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	83.057, 90.448, 54.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 1.300
R-factor	0.1583
Rwork	0.157
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.730	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.083	2.258
Rmeas	0.086	2.343
Rpim	0.024	0.623
Total number of observations	1342291	66339
Number of reflections	99381	4768
<I/σ(I)>	14.4	1.2
Completeness [%]	97.9
Redundancy	13.5	13.9
CC(1/2)	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20 % (w/v) PEG 8000, 0.1 M Sodium Cacodylate, 0.2 M Magnesium acetate