4U3F

Cytochrome bc1 complex from chicken with designed inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.91810
Spacegroup name	P 21 21 21
Unit cell lengths	167.251, 181.483, 239.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.996 - 3.231
R-factor	0.2374
Rwork	0.236
R-free	0.28360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgu
RMSD bond length	0.003
RMSD bond angle	0.682
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1745))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	3.290
High resolution limit [Å]	3.230	3.230
Number of reflections	115416
<I/σ(I)>	6.49	1.14
Completeness [%]	99.8	99.1
Redundancy	6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.77	278	CRYSTALLIZATION CONDITIONS: 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, TEMPERATURE 278K