3TGU

Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-06
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	172.678, 183.305, 241.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.980 - 2.700
R-factor	0.258
Rwork	0.258
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l71
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	192851
<I/σ(I)>	10.97	0.98
Completeness [%]	92.4	55.2
Redundancy	3.8	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.77	278	50 mm cacodylate, 9.4 mM TrisHCl, 30 mM K-MES, 1.8 mM K-MOPS, 30 mM NaCl, 31 mM KCl, 10 mM MgCl2, 91 g/l glycerol, 30 g/l PEG 4kDa, 0.9 mM NaN3, 0.05 mM EDTA, 0.47g/l undecyl maltoside, 31 mM octyl glucoside, pH 6.77, VAPOR DIFFUSION, HANGING DROP, temperature 278K