3JQO

Crystal structure of the outer membrane complex of a type IV secretion system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9755
Spacegroup name	P 21 21 2
Unit cell lengths	202.400, 211.630, 203.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.910 - 2.600
R-factor	0.22885
Rwork	0.227
R-free	0.25935
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	EMDB entry 5034 Cryo-EM structure of trypsin digested core TraF/TraN/TraO complex
RMSD bond length	0.020
RMSD bond angle	1.985
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.910	2.800
High resolution limit [Å]	2.600	2.600
Rmerge	0.055	0.264
Number of reflections	496105
<I/σ(I)>	12.12	3.11
Completeness [%]	95.5	94.7
Redundancy	1.98	1.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20-40% w/v MPD, 100mM Bis-Tris pH 6.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20-40% w/v MPD, 100mM Bis-Tris pH 6.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K