9IUH

Crystal structure of Chitinase from Vibrio parahaemolyticus at pH6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96183
Spacegroup name	C 1 2 1
Unit cell lengths	123.060, 50.420, 95.330
Unit cell angles	90.00, 126.53, 90.00

Refinement procedure

Resolution	25.340 - 1.700
R-factor	0.1975
Rwork	0.196
R-free	0.22891
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.340	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.075	1.026
Rmeas	0.082
Rpim	0.032	0.469
Number of reflections	51910	3826
<I/σ(I)>	15.6	1.6
Completeness [%]	99.9
Redundancy	6.4
CC(1/2)	0.999	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290.15	20% v/v PEG 500* MME, 10 % w/v PEG 20000, 0.06M Magnesium chloride hexahydrate, 0.06M Calcium chloride dihydrate, 0.1M Imidazole, 0.1M MES monohydrate (acid), pH6.5