7C6C

Crystal structure of native chitosanase from Bacillus subtilis MY002

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-22
Detector	RAYONIX MX-300
Wavelength(s)	0.97854
Spacegroup name	P 21 21 21
Unit cell lengths	47.381, 77.666, 79.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.083 - 1.258
R-factor	0.1506
Rwork	0.150
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4olt
RMSD bond length	0.004
RMSD bond angle	0.768
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.083	1.280
High resolution limit [Å]	1.258	1.258
Rmerge	0.068	0.264
Number of reflections	79276	3928
<I/σ(I)>	21.9	6
Completeness [%]	99.2	98.9
Redundancy	6.4
CC(1/2)	0.991	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	0.15 M DL-Malic acid pH7.0 and 20% (w/v) PEG3350