4D9V

Structure of the Type III Secretion System Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97961
Spacegroup name	P 4 3 2
Unit cell lengths	117.105, 117.105, 117.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.308 - 2.519
R-factor	0.2093
Rwork	0.204
R-free	0.25680
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.315
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.310	2.590
High resolution limit [Å]	2.510	2.500
Rmerge	0.076	0.578
Number of reflections	9819
<I/σ(I)>	46.8	8.37
Completeness [%]	99.9	80.5
Redundancy	41.5	35.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	3.5 M NaHCOO, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K