3TNY

Structure of YfiY from Bacillus cereus bound to the siderophore iron (III) schizokinen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	57.796, 47.328, 64.981
Unit cell angles	90.00, 112.88, 90.00

Refinement procedure

Resolution	50.000 - 1.550
R-factor	0.1731
Rwork	0.172
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.109
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.118
Number of reflections	46458
<I/σ(I)>	9.2
Completeness [%]	99.5
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	312	Protein 10-20 mg/ml, 0.1M HEPES 7.0, 30% Jeffamine ED-2001. Direct cryoprotection. , VAPOR DIFFUSION, HANGING DROP, temperature 312K