3H1L

Chicken cytochrome BC1 complex with ascochlorin bound at QO and QI sites

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	174.139, 182.364, 241.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 3.210
R-factor	0.268
Rwork	0.267
R-free	0.29500
Structure solution method	RIGID BODY REFINEMENT
Starting model (for MR)	2BCC AFTER FURTHER REFINEMENT
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.968	3.260
High resolution limit [Å]	3.200	3.200
Number of reflections	125484
<I/σ(I)>	26.5	1.37
Completeness [%]	99.6	94.1
Redundancy	6.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.77	277	Final concentrations before diffusion: 50 mM Cacodylate, 9.4 mM TrisHCl, 10 mM MgCl2, 50 g/L glycerol, 30 g/L PEG 3350Da, 0.23 mM EDTA, 0.47 g/L undecyl maltoside, 31 mM octyl glucoside, pH 6.77, VAPOR DIFFUSION, SITTING DROP, temperature 277K