8RBN

Neutron structure of alginate lysase PsPL7C from Paradendryphiella salina soaked with penta-mannuronic acid

Experimental procedure

Experimental method	LAUE
Source type	SPALLATION SOURCE
Source details	ORNL Spallation Neutron Source BEAMLINE MANDI
Synchrotron site	ORNL Spallation Neutron Source
Beamline	MANDI
Temperature [K]	293
Detector technology	SCINTILLATION
Collection date	2020-10-04
Detector	ORNL ANGER CAMERA
Wavelength(s)	2-4
Spacegroup name	P 21 21 21
Unit cell lengths	42.089, 61.451, 91.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.410 - 2.100
R-factor	0.1312
Rwork	0.129
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.798

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.850	2.260
High resolution limit [Å]	2.150	2.150
Number of reflections	11082	1091
<I/σ(I)>	5.29
Completeness [%]	84.0
Redundancy	3.2
CC(1/2)	0.900	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	20% PEG 1500; 0.1 M TBG buffer pH 4