8PED

Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with trimannuronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	42.060, 59.770, 89.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.050 - 1.100
R-factor	0.1295
Rwork	0.129
R-free	0.14590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.966
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]	44.670	1.160
High resolution limit [Å]	1.100	1.100
Number of reflections	92285	14629
<I/σ(I)>	17.22
Completeness [%]	99.8
Redundancy	12.21
CC(1/2)	1.000	0.540

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, 0.3M NaCl