7NPP

Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with penta-mannuronic 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	2020-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.972425
Spacegroup name	P 21 21 21
Unit cell lengths	34.830, 80.740, 81.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.650 - 1.450
R-factor	0.1591
Rwork	0.158
R-free	0.18720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ncz
RMSD bond length	0.008
RMSD bond angle	1.142
Data scaling software	XDS
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.660	1.520
High resolution limit [Å]	1.450	1.450
Number of reflections	41502	6419
<I/σ(I)>	12.53
Completeness [%]	99.5
Redundancy	6.75
CC(1/2)	1.000	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	20% PEG 1500 and 0.1 M TBG buffer pH 4