4RHA

Structure of the C-terminal domain of outer-membrane protein OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915, 0.97929
Spacegroup name	P 32
Unit cell lengths	58.627, 58.627, 72.746
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.310 - 1.750
R-factor	0.1681
Rwork	0.167
R-free	0.19760
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.540
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.066	0.064	0.303
Number of reflections	28244
<I/σ(I)>	10.2		3.2
Completeness [%]	99.7	94.7	100
Redundancy	6.2	5.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	2.5M Ammonium sulphate, 0.1M HEPES pH 7.5, 1.5% MPD, 20mM Magnesium acetate, EVAPORATION, temperature 293K