8BJO

Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F 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	2021-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.774900
Spacegroup name	P 1
Unit cell lengths	33.930, 39.880, 42.580
Unit cell angles	74.12, 77.93, 69.78

Refinement procedure

Resolution	19.050 - 1.510
R-factor	0.1707
Rwork	0.169
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ywf
RMSD bond length	0.008
RMSD bond angle	1.119
Data reduction software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.050	1.560
High resolution limit [Å]	1.510	1.510
Number of reflections	28650	2660
<I/σ(I)>	8.35
Completeness [%]	91.1
Redundancy	3.8
CC(1/2)	1.000	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	2 M Ammonium sulfate; 0.1 Sodium acetate pH 4.6