8RBR

Neutron structure of alginate lyase PsPL7C from Paradendryphiella salina

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	2020-05-12
Detector	ORNL ANGER CAMERA
Wavelength(s)	2-4
Spacegroup name	P 21 21 21
Unit cell lengths	41.577, 60.971, 91.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.230 - 1.800
R-factor	0.1271
Rwork	0.125
R-free	0.16730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.207

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.230	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	41523	705
<I/σ(I)>	5.29
Completeness [%]	84.0
Redundancy	3.2
CC(1/2)	0.900	0.320

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