7C8G

Structure of alginate lyase AlyC3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	44.902, 45.603, 305.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.629 - 2.100
R-factor	0.2081
Rwork	0.205
R-free	0.27330
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.914
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.110	0.410
Number of reflections	38033	3711
<I/σ(I)>	31.8
Completeness [%]	99.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) polyethylene glycol (PEG) 3350 and 0.2 M succinic acid (pH 7.0)