5KKZ

Rhodobacter sphaeroides bc1 with famoxadone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-04
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	120.773, 128.277, 128.283
Unit cell angles	63.92, 88.63, 63.38

Refinement procedure

Resolution	29.981 - 2.970
R-factor	0.2161
Rwork	0.215
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2QJY chains A B and C only
RMSD bond length	0.014
RMSD bond angle	1.339
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.11rc1_2513: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.030
High resolution limit [Å]	2.970	2.970
Rmerge	0.102	0.558
Number of reflections	122242
<I/σ(I)>	6.2
Completeness [%]	96.3	82.5
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	7% PEG400, 200 mM histidine, 150 mM NaCl, 10 mM sodium ascorbate, famoxadone, b-OG, sucrose mono caparate