6MYR

Avian mitochondrial complex II with thiapronil bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	72.361, 84.622, 293.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.930 - 2.150
R-factor	0.2187
Rwork	0.218
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yq3
RMSD bond length	0.004
RMSD bond angle	0.721
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_3150)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.520	2.210
High resolution limit [Å]	2.145	2.150
Rmerge	0.108	0.604
Number of reflections	89869	3430
<I/σ(I)>	4.6	1.1
Completeness [%]	90.2	42
Redundancy	3.1	2.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	47 g/L PEG3350, 30 mL/L PEG400, 23 mL/L isopropanol, 0.05 M HEPES sodium, 0.01 M Tris-HCl, 3.1 mM manganese chloride, 0.62 mM magnesium chloride, 1.5 mM sodium azide, 0.25 mM sodium EDTA, 10 g/L octyl beta-D-glucoside, undecyl-beta-D-maltoside, crystal was soaked with thiapronil after crystallization