3NRQ

Crystal structure of copper-reconstituted FetP from uropathogenic Escherichia coli strain F11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97641
Spacegroup name	P 21 21 21
Unit cell lengths	38.410, 51.970, 146.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.160 - 1.700
R-factor	0.1981
Rwork	0.196
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.394
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.325	38.410	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.071	0.394
Total number of observations		4849	18882
Number of reflections	31725
<I/σ(I)>	11.5	8.3	1.7
Completeness [%]	96.7	88.8	93.5
Redundancy	4.8	4.9	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M BisTris pH 6.5, 25% pentaerythritol ethoxylate (15/4 EO/OH), 25 mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K