6NIN

Rhodobacter sphaeroides bc1 with STIGMATELLIN A

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	2009-06-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.827
Spacegroup name	C 1 2 1
Unit cell lengths	356.661, 145.752, 162.223
Unit cell angles	90.00, 104.97, 90.00

Refinement procedure

Resolution	28.908 - 3.600
R-factor	0.2496
Rwork	0.249
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qjy
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (dev_3339)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.580
High resolution limit [Å]	3.500	8.620	3.500
Rmerge	0.122	0.045	0.844
Rmeas	0.151	0.053	1.072
Rpim	0.087	0.029	0.653
Total number of observations	267497
Number of reflections	99255	6898	6250
<I/σ(I)>	5.7
Completeness [%]	96.5	98.2	91.7
Redundancy	2.7	3.2	2.3
CC(1/2)		0.997	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	50 mM Tris pH 7.5, 200 mM NaCl, 200 mM histidine, 0.5% beta-octyl glucoside, 10% glycerol, 5 mM NaN3 and 1.25 mM sodium ascorbate, 5-8% PEG400 0.12-0.30% SMC