6KCW

Structure of alginate lyase Aly36B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	53.770, 89.492, 46.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.860 - 2.280
R-factor	0.197
Rwork	0.195
R-free	0.23500
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.860	2.380
High resolution limit [Å]	2.280	2.280
Rmerge	0.137
Number of reflections	10564	1026
<I/σ(I)>	25.06
Completeness [%]	98.8
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	potassium phosphate monobasic/ sodium phosphate dibasic, polyethylene glycol (PEG) 8,000, and sodium chloride.