3SZC

Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans in complex with gold (I) cyanide

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	2011-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 62 2 2
Unit cell lengths	149.540, 149.540, 81.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.948 - 2.200
R-factor	0.1836
Rwork	0.181
R-free	0.22440
Structure solution method	refinement
RMSD bond length	0.010
RMSD bond angle	1.245
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	PHENIX (1.7.1_743)
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.800	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.140	1.573
Number of reflections	25168
<I/σ(I)>	10.5	1.9
Completeness [%]	90.2	74.3
Redundancy	14.4	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	30% PEG 600, 0.1 M bis-tris buffer, 0.1 M MgSO4, 5 mM decylubiquinone, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K