8PC8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	42.068, 59.928, 89.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.090 - 1.240
R-factor	0.1596
Rwork	0.159
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.009
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	1.280
High resolution limit [Å]	1.240	1.240
Number of reflections	124393	6412
<I/σ(I)>	19.26
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	1.000	0.640

Crystallization Conditions

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