8HNF

Crystal structure of the ancestral GH19 chitinase Anc5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	36.888, 73.427, 39.279
Unit cell angles	90.00, 99.97, 90.00

Refinement procedure

Resolution	38.690 - 1.570
R-factor	0.1772
Rwork	0.176
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.092
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]	38.690	1.627
High resolution limit [Å]	1.570	1.570
Rmerge	0.066	0.484
Number of reflections	28613	2773
<I/σ(I)>	10.36
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		316	27% (w/v) polyethylene glycol monomethyl ether 2000, 0.1M MES monohydrate pH 6.0