1EW4

CRYSTAL STRUCTURE OF ESCHERICHIA COLI CYAY PROTEIN REVEALS A NOVEL FOLD FOR THE FRATAXIN FAMILY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-25
Detector	FUJI
Spacegroup name	P 32 2 1
Unit cell lengths	44.178, 44.178, 98.286
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.130 - 1.400
R-factor	0.188
Rwork	0.188
R-free	0.21300
RMSD bond length	0.011
RMSD bond angle	24.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.041	0.399
Total number of observations	204695 *
Number of reflections	22616 *
<I/σ(I)>	46
Completeness [%]	99.9	99.4
Redundancy	9	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.12	296	0.1 M sodium acetate, 34% PEG 4000, pH 5.12, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17 (mg/ml)
2	1	drop	magnesium chloride	2.0 (M)
3	1	reservoir	sodium acetate	100 (mM)
4	1	reservoir	PEG4000	34 (%(w/v))