4DI4

Crystal structure of a 3:1 complex of Treponema pallidum TatP(T) (Tp0957) bound to TatT (Tp0956)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97899
Spacegroup name	H 3 2
Unit cell lengths	172.879, 172.879, 150.718
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.436 - 2.714
R-factor	0.1976
Rwork	0.194
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u64
RMSD bond length	0.008
RMSD bond angle	1.206
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.770
High resolution limit [Å]	2.714	7.380	2.714
Rmerge	0.083	0.031	0.948
Number of reflections	23479
<I/σ(I)>	9.4
Completeness [%]	100.0	99.9	100
Redundancy	14.6	14.2	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	293	0.1 M CHES, 30% PEG400, pH 9.5, VAPOR DIFFUSION, temperature 293K