3R2L

1.85A resolution structure of Iron Soaked FtnA from Pseudomonas aeruginosa (pH 7.5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-28
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	F 4 3 2
Unit cell lengths	172.520, 172.520, 172.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.008 - 1.850
R-factor	0.1817
Rwork	0.179
R-free	0.22800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3r2h
RMSD bond length	0.017
RMSD bond angle	1.420
Data reduction software	XDS
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.064	0.805
Number of reflections	19357
<I/σ(I)>	33.453	2.192
Completeness [%]	99.9	100
Redundancy	10.5	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	20% (v/v) 1,4-butanediol, 100 mM HEPES, 200 mM NaCl, pH 7.5, vapor diffusion, temperature 293K