8YUH

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

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
Unit cell lengths	97.850, 97.850, 196.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.590 - 1.730
R-factor	0.1538
Rwork	0.154
R-free	0.16990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.021
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]	47.590	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.124	1.688
Rmeas	0.129	1.756
Rpim	0.035	0.484
Number of reflections	191652	19068
<I/σ(I)>	15.66	1.68
Completeness [%]	100.0	99.95
Redundancy	13.8	13.1
CC(1/2)	0.999	0.700

Crystallization Conditions

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