1PP9

Bovine cytochrome bc1 complex with stigmatellin bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-28
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	139.117, 171.055, 227.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.980 - 2.100
R-factor	0.25
Rwork	0.250
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT USING NATIVE BOVINE AND STIGMATELLIN-BOUND CHICKEN STRUCTURES
Starting model (for MR)	PDB ENTRIES 1BE3 2bcc
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE ((CCP4 PACKAGE))
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	312369
<I/σ(I)>	10.9	1.037
Completeness [%]	97.2	83
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.65	277	PEG-3350, JEFFAMINE, GLYCEROL, CACODYLATE, HEXYLGLUCOSIDE, pH 6.65, VAPOR DIFFUSION, SITTING DROP, temperature 277K