1ESZ

STRUCTURE OF THE PERIPLASMIC FERRIC SIDEROPHORE BINDING PROTEIN FHUD COMPLEXED WITH COPROGEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-11
Detector	BRANDEIS - B4
Spacegroup name	P 63
Unit cell lengths	86.090, 86.090, 91.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.219 *
Rwork	0.219
R-free	0.24100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	30.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.043	0.102
Number of reflections	25292
<I/σ(I)>	35.1
Completeness [%]	95.6	90.1 *
Redundancy	90.1	90.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	Na/K phosphate, HEPES, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.3 (mg/ml)
2	1	drop	disodium/potassium phosphate	0.8 (M)
3	1	drop	HEPES	0.05 (M)	pH7.5
4	1	reservoir	disodium/potassium phosphate	1.6 (M)
5	1	reservoir	HEPES	0.1 (M)	pH7.5