4UC3

Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.003
Spacegroup name	P 1 21 1
Unit cell lengths	49.100, 61.706, 52.676
Unit cell angles	90.00, 112.53, 90.00

Refinement procedure

Resolution	42.209 - 2.500
R-factor	0.2202
Rwork	0.218
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.393
Data scaling software	XDS
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.350	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.226	0.420
Number of reflections	9874
<I/σ(I)>	7.2	2
Completeness [%]	97.1
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	32% (w/v) PEG 1000, 100 mM Zn(CH3CO2)2, 100 mM MES, 100 mM NaCH3CO2, K or NH4CH3CO2, and 6-8 % (v/v) 2-propanol