8YUI

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

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	2022-03-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	97.380, 97.380, 197.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.690 - 1.430
R-factor	0.1239
Rwork	0.124
R-free	0.13820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.837
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]	48.690	1.481
High resolution limit [Å]	1.430	1.430
Rmerge	0.066	1.723
Rmeas	0.069	1.791
Rpim	0.019	0.486
Number of reflections	344210	34167
<I/σ(I)>	19.72	1.61
Completeness [%]	99.9	99.93
Redundancy	13.4	13.4
CC(1/2)	1.000	0.757

Crystallization Conditions

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