4MEI

Crystal structure of a VirB8 Type IV secretion system machinery soluble domain from Bartonella tribocorum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-31
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	61.540, 61.540, 126.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.140 - 2.850
R-factor	0.2003
Rwork	0.198
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.477
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.920
High resolution limit [Å]	2.850	12.750	2.850
Rmerge	0.077	0.032	0.589
Number of reflections	6166	85	450
<I/σ(I)>	22.98	45.8	3.86
Completeness [%]	99.7	84.2	100
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	BatrA.18388.b.B2.PS01799 at 3.84 mg/mL against JCSG+ F10 1.1 M Na Malonate, 0.1 M Hepes pH 7.0, 0.5% Jeffamine ED2001 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 244429f10, unique puck ID jcp2-9, VAPOR DIFFUSION, SITTING DROP, temperature 289K