3T31

Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans in complex with decylubiquinone

Replaces:  3KPG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 62 2 2
Unit cell lengths	150.770, 150.770, 82.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.910 - 2.300
R-factor	0.161
Rwork	0.159
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.143
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.113	0.987
Number of reflections	24845
<I/σ(I)>	23.67	4.08
Completeness [%]	99.7	100
Redundancy	21.4	21.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% PEG 600, 0.1 M bis-tris buffer, 0.1M MgSO4, 0.4mM DDM, 2 mM decylubiquinone, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K