7CJU

Crystal structure of inactive form of chitosanase crystallized by ammonium sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	56.949, 92.130, 168.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.440 - 1.740
R-factor	0.1572
Rwork	0.155
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1V5C
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.441	48.440	1.770
High resolution limit [Å]	1.739	9.520	1.740
Rmerge	0.158	0.042	1.392
Rmeas	0.170	0.046	1.489
Rpim	0.061	0.018	0.524
Total number of observations		4191	32712
Number of reflections	90669	661	4213
<I/σ(I)>	8.1	19.5	1.6
Completeness [%]	98.9	99.6	93.9
Redundancy	7.6	6.3	7.8
CC(1/2)	0.996	0.995	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.1M Sodium Citrate, 3.4M Ammonium Sulfate