7NM6

Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-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	35.280, 80.720, 81.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.830 - 1.780
R-factor	0.1616
Rwork	0.160
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ncz
RMSD bond length	0.009
RMSD bond angle	1.011
Data reduction software	XDS
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]	40.830	1.890
High resolution limit [Å]	1.780	1.780
Rmerge		0.730
Number of reflections	22593	3133
<I/σ(I)>	11.49
Completeness [%]	97.4
Redundancy	6.81
CC(1/2)	1.000

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