8YUG

X-ray Crystal structure of glycoside hydrolase family 18 chitinase from Serratia marcescens hexahistigine-tagged SmChiB apo enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2021-12-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	97.580, 97.580, 196.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.790 - 1.710
R-factor	0.1522
Rwork	0.152
R-free	0.17260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.834
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.790	1.771
High resolution limit [Å]	1.710	1.710
Rmerge	0.138	1.408
Rmeas	0.140	1.436
Rpim	0.027	0.280
Number of reflections	103180	10171
<I/σ(I)>	18.83	2.3
Completeness [%]	100.0	99.93
Redundancy	26.3	25.9
CC(1/2)	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	di-ammonium phosphate, sodium acetate