4NHF

Crystal structure of the soluble domain of TrwG Type IV secretion machinery from Bartonella grahamii

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	2013-10-03
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	62.950, 87.650, 191.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.1976
Rwork	0.195
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jf8
RMSD bond length	0.013
RMSD bond angle	1.495
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.080	0.028	0.505
Number of reflections	71950	869	5262
<I/σ(I)>	15.35	41.77	3.61
Completeness [%]	99.1	93.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	BagrA.18388.b.B2.PW37127 at 19.5 mg/mL against PACT condition B11, 0.2 M CaCl2, 0.1 M MES pH 6.0, 20% PEG 6000 supplemented with 20% glycerol as cryo-protectant, crystal tracking ID 248166b11, unique puck ID ngo7-6, VAPOR DIFFUSION, SITTING DROP, temperature 289K