8P6O

Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with di-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	2021-03-19
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	33.920, 39.880, 42.550
Unit cell angles	73.92, 77.08, 69.85

Refinement procedure

Resolution	40.470 - 1.050
R-factor	0.1167
Rwork	0.116
R-free	0.13950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.065
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.470	1.110
High resolution limit [Å]	1.050	1.050
Number of reflections	84336	12463
<I/σ(I)>	5.84
Completeness [%]	90.6
Redundancy	3.12
CC(1/2)	0.990	0.830

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