2QYU

Crystal structure of Salmonella effector protein SopA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07223
Spacegroup name	P 41 2 2
Unit cell lengths	79.720, 79.720, 212.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.20644
Rwork	0.204
R-free	0.24916
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet substituted SopA structure model
RMSD bond length	0.008
RMSD bond angle	1.191
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	37593
<I/σ(I)>	14.8	2.8
Completeness [%]	98.6	98.3
Redundancy	12.7	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M sodium potassium phosphate, 0.1M bis-Tris propane (pH6.5), 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K