8C3X

Crystal structure of Paradendryphiella salina PL7C alginate lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-01
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.688800
Spacegroup name	P 21 21 21
Unit cell lengths	41.210, 59.800, 90.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.470 - 0.820
R-factor	0.13
Rwork	0.130
R-free	0.14140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.470	0.850
High resolution limit [Å]	0.820	0.820
Number of reflections	421544	21492
<I/σ(I)>	0.91
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	1.000	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG3350; 0.1M Bis-Tris pH 5.5; 0.5M NaCl