1EFD

PERIPLASMIC FERRIC SIDEROPHORE BINDING PROTEIN FHUD COMPLEXED WITH GALLICHROME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	138
Detector technology	CCD
Collection date	1999-07-30
Detector	ADSC QUANTUM 4r
Spacegroup name	P 63
Unit cell lengths	86.540, 86.540, 91.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.218 *
Rwork	0.218
R-free	0.25000
RMSD bond length	0.007 *
RMSD bond angle	1.453 *
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]	1.900	1.900
Rmerge	0.152	0.152
Number of reflections	55765
<I/σ(I)>	30.1
Completeness [%]	92.0	93
Redundancy	99.8	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	20 *	1.6 M Na/K phosphate, 100 mM HEPES, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	4.6	20 *	1.6 M Na/K phosphate, 100 mM HEPES, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	4.6	20 *	1.6 M Na/K phosphate, 100 mM HEPES, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	sodium potassium phosphate	0.8 (M)
3	1	drop	HEPES	0.1 (M)
4	1	reservoir	sodium potassium phosphate	1.6 (M)
5	1	reservoir	HEPES	0.2 (M)