8BXZ

Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with penta-mannuronic acid

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	2021-02-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	34.230, 39.990, 42.720
Unit cell angles	74.74, 78.48, 69.51

Refinement procedure

Resolution	36.620 - 1.200
R-factor	0.1163
Rwork	0.115
R-free	0.14090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.135
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.620	1.270
High resolution limit [Å]	1.200	1.200
Number of reflections	58658	9001
<I/σ(I)>	12.54
Completeness [%]	92.1
Redundancy	3.29
CC(1/2)	0.990	0.870

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