8PC3

Crystal structure of Paradendryphiella salina PL7C alginate lyase in complex with pentamannuronic 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	2020-09-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	41.870, 59.760, 89.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.900 - 1.100
R-factor	0.1513
Rwork	0.151
R-free	0.16320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.100
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]	44.580	1.140
High resolution limit [Å]	1.100	1.100
Number of reflections	175581	9008
<I/σ(I)>	12.43
Completeness [%]	99.6
Redundancy	9.2
CC(1/2)	1.000	0.630

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