7C6D

Crystal structure of E19A mutant chitosanase from Bacillus subtilis MY002 complexed with 6 GlcN.

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	2019-11-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	46.961, 77.921, 79.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.978 - 1.451
R-factor	0.1371
Rwork	0.136
R-free	0.16000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c6c
RMSD bond length	0.005
RMSD bond angle	0.844
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.980	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.052	0.133
Number of reflections	51501	2256
<I/σ(I)>	47.2	0.147
Completeness [%]	98.7
Redundancy	12
CC(1/2)	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M HEPES pH7.5, 0.2M ammonium sulfate and 25%(w/v) PEG 3350