5CX8

Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	56.640, 184.740, 144.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.140 - 2.400
R-factor	0.178
Rwork	0.178
R-free	0.20820
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS (2.10.2)
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.155	1.118
Number of reflections	60274
<I/σ(I)>	15.4	2.7
Completeness [%]	100.0	100
Redundancy	13.1	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	100mM 2-(N-morpholino)ethanesulfonic acid 200mM calcium acetate, 20% [w/v] polyethylene glycol 10,000