3T2Z

Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans

Replaces:  3KPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 42 21 2
Unit cell lengths	131.729, 131.729, 208.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.918 - 2.299
R-factor	0.1742
Rwork	0.172
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3H27
RMSD bond length	0.007
RMSD bond angle	1.189
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.299	2.299
Rmerge	0.097	0.986
Number of reflections	82166
<I/σ(I)>	19.5	2
Completeness [%]	100.0	100
Redundancy	8	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	30% PEG 600, 0.1 M bis-tris buffer, 0.1M (NH4)2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K