8PDT

Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with dimannuronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.799
Spacegroup name	P 21 21 21
Unit cell lengths	41.710, 59.900, 88.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.770 - 1.090
R-factor	0.1497
Rwork	0.149
R-free	0.17740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.880	1.160
High resolution limit [Å]	1.090	1.090
Number of reflections	92201	14459
<I/σ(I)>	7.77
Completeness [%]	98.4
Redundancy	7.16
CC(1/2)	1.000	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG3350, 0.1M Bis-Tris pH 5.5, 0.3M NaCl