6ZA2

Crystal structure of dimeric latent PorU from Porphyromonas gingivalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	110
Detector technology	PIXEL
Collection date	2017-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9817
Spacegroup name	P 61 2 2
Unit cell lengths	171.700, 171.700, 440.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	88.480 - 3.350
R-factor	0.203
Rwork	0.202
R-free	0.24300
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.480	3.550
High resolution limit [Å]	3.350	3.350
Rmerge	0.152	1.899
Rmeas	0.154	1.923
Number of reflections	56055	8750
<I/σ(I)>	22.71	3.12
Completeness [%]	100.0	100
Redundancy	38.5	39.626
CC(1/2)	1.000	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	The best crystals of full-length native and selenomethionine-derivatized PorU were obtained at 20 degrees in drops with 1 microL of protein solution (at 5-10 mg per mL in 20 mM Tris-HCl, 150 mM NaCl, pH 7.5) and 1 microL of reservoir solution (100 mM HEPES, 200 mM calcium chloride, 28-32 per cent v/v PEG600, pH 7.5). Crystals were cryoprotected by rapid passage through drops containing increasing amounts of glycerol (5-to-20 per cent v/v).