7NCZ

Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with hexa-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)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	34.810, 80.900, 81.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.600 - 1.640
R-factor	0.1542
Rwork	0.152
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ywf
RMSD bond length	0.009
RMSD bond angle	1.184
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.600	1.730
High resolution limit [Å]	1.640	1.640
Number of reflections	53721	8113
<I/σ(I)>	10.36
Completeness [%]	98.6	96.8
Redundancy	6.96
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