2FYN

Crystal Structure Analysis of the double mutant Rhodobacter Sphaeroides bc1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-05
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	351.300, 147.130, 160.830
Unit cell angles	90.00, 103.94, 90.00

Refinement procedure

Resolution	18.000 - 3.200
R-factor	0.224
Rwork	0.224
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qcr
RMSD bond length	0.013
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.127	0.391
Number of reflections	155528
<I/σ(I)>	8.4	1.37
Completeness [%]	94.3	94.3
Redundancy	3.7	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	288.2	10% PEG400, 0.2 M NaCl, 0.2 M Histidine, 0.1M Tris, 10% Glycerol, 5 mM NaN3, 10% Glycerol, 2mM DHPC, 0.5% beta-octyl glucopyranoside, 0.06% sucrose monocarprate, 10mM Sr(NO3)2, pH 7.5, EVAPORATION, temperature 288.2K
1	EVAPORATION	7.5	288.2	10% PEG400, 0.2 M NaCl, 0.2 M Histidine, 0.1M Tris, 10% Glycerol, 5 mM NaN3, 10% Glycerol, 2mM DHPC, 0.5% beta-octyl glucopyranoside, 0.06% sucrose monocarprate, 10mM Sr(NO3)2, pH 7.5, EVAPORATION, temperature 288.2K