3NRP

Crystal structure of 'as isolated' uropathogenic E. coli strain F11 FetP recombinantly expressed in the periplasm of E. coli BL21(DE3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97964
Spacegroup name	P 32
Unit cell lengths	134.852, 134.852, 45.422
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.010 - 1.600
R-factor	0.1726
Rwork	0.171
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.433
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	116.786	42.333	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.055	0.393
Total number of observations		21244	56301
Number of reflections	114166
<I/σ(I)>	8.3	11.8	1.9
Completeness [%]	93.6	97.9	88.1
Redundancy	4.1	5.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% PEG 3350, 0.2 M ammonium citrate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K