3BE5

Crystal structure of FitE (crystal form 1), a group III periplasmic siderophore binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.10000
Spacegroup name	P 21 21 21
Unit cell lengths	51.656, 113.633, 224.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.040 - 2.200
R-factor	0.19008
Rwork	0.187
R-free	0.24488
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.268
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	60135
<I/σ(I)>	14.3	4.8
Completeness [%]		59.7
Redundancy	5.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	294	0.1M Tris-HCl pH 7.5, 0.2 M MgCl2, 22% (w/v) PEG 3350, VAPOR DIFFUSION, temperature 294K