3NSG

Crystal Structure of OmpF, an Outer Membrane Protein from Salmonella typhi

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Collection date	2007-12-13
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	85.185, 139.335, 150.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.590 - 2.790
R-factor	0.25887
Rwork	0.255
R-free	0.33672
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.656
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.790	6.030	2.800
Rmerge	0.092	0.055	0.364
Number of reflections	38061
<I/σ(I)>	8
Completeness [%]	84.4	99.5	57.1
Redundancy	7.7	9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4		0.1M Tri sodium citrate, 0.25M potassium sodium tartrate, 2M Ammonium sulphate, pH 5.4, VAPOR DIFFUSION, HANGING DROP