8QLI

Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 soaked with with tetra-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	2020-09-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	77.540, 38.770, 75.170
Unit cell angles	90.00, 116.91, 90.00

Refinement procedure

Resolution	38.670 - 1.120
R-factor	0.1445
Rwork	0.144
R-free	0.16780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.670	1.150
High resolution limit [Å]	1.120	1.120
Number of reflections	75488	4449
<I/σ(I)>	12.98
Completeness [%]	98.3
Redundancy	5.4
CC(1/2)	0.780	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	30% PEG3350, 0.1M Bis-Tris pH 5.5, 0.2M NaCl