5VES

The 2.4A crystal structure of OmpA domain of OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S

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	2014-09-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97917
Spacegroup name	P 32 2 1
Unit cell lengths	109.371, 109.371, 56.391
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.454 - 2.400
R-factor	0.189
Rwork	0.186
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4erh
RMSD bond length	0.007
RMSD bond angle	1.119
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.102	0.691
Rpim	0.048	0.322
Number of reflections	15529	748
<I/σ(I)>	19.94	2.39
Completeness [%]	100.0	100
Redundancy	5.5	5.5
CC(1/2)		0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.2M AMMONIUM SULFATE, 20% (W/V) PEG3350,