7R2X

Paradendryphiella salina PL8 mannuronate-specific alginate lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 31
Unit cell lengths	108.890, 108.890, 150.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.150 - 3.350
R-factor	0.2092
Rwork	0.207
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alpha Fold model
RMSD bond length	0.002
RMSD bond angle	0.431
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	ISOLDE

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	3.470
High resolution limit [Å]	3.350	3.350
Number of reflections	28559	2833
<I/σ(I)>	0.99
Completeness [%]	99.4
Redundancy	3.5
CC(1/2)	0.990	0.420

Crystallization Conditions

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