8QCE

Dispersin from Lactiplantibacillus paraplantarum DispLp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	46.902, 82.792, 80.642
Unit cell angles	90.00, 98.11, 90.00

Refinement procedure

Resolution	38.057 - 1.050
Rwork	0.147
R-free	0.16960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.734
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.060	38.060	1.070
High resolution limit [Å]	1.050	5.750	1.050
Rmerge	0.079	0.063	1.052
Rmeas	0.105	0.084	1.411
Rpim	0.068	0.054	0.930
Number of reflections	256432	7023	12583
<I/σ(I)>	6.6
Completeness [%]	90.5
Redundancy	3.7	3.9	2.2
CC(1/2)	0.994	0.991	0.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M calcium chloride, 0.1 M sodium acetate pH 5.0, 20% PEG 6000 (PACT A10), MMS from Hampton D10