5B4E

Sulfur Transferase TtuA in complex with iron sulfur cluster and ATP derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-15
Detector	ADSC QUANTUM 270
Wavelength(s)	1.35
Spacegroup name	P 61 2 2
Unit cell lengths	92.911, 92.911, 266.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.455 - 2.698
R-factor	0.2167
Rwork	0.216
R-free	0.23700
RMSD bond length	0.009
RMSD bond angle	0.964
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.860
High resolution limit [Å]	2.698	2.698
Rmerge		0.721
Number of reflections	35452
<I/σ(I)>	18	2.74
Completeness [%]	99.8	98.8
Redundancy	7.74	7.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M sodium acetate (pH 3.8-5.6), 30-60%(v/v) 1,2-propanediol