4LSO

Crystal structure of the soluble domain of a Type IV secretion system protein VirB8 from Bartonella quintana Toulouse

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	60.730, 60.730, 87.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.970 - 1.700
R-factor	0.17581
Rwork	0.174
R-free	0.20713
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kz1
RMSD bond length	0.011
RMSD bond angle	1.407
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.034	0.015	0.429
Number of reflections	18752
<I/σ(I)>	34.27	75.75	4.72
Completeness [%]	99.8	87.1	100
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	BaquA.18388.b.B2.PS01732 at 21 mg/mL against JCSG+ screen condition B9, 0.1 M Na citrate pH 5.0, 20% PEG 6000 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 242024b9, unique puck ID fez5-10, VAPOR DIFFUSION, SITTING DROP, temperature 289K