7PCS

Structure of the heterotetrameric SDR family member BbsCD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.894
Spacegroup name	P 31
Unit cell lengths	68.600, 68.600, 191.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.700 - 2.250
R-factor	0.1847
Rwork	0.184
R-free	0.20960
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.540	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.049	0.388
Rmeas	0.058	0.461
Rpim	0.031	0.247
Number of reflections	46066	6818
<I/σ(I)>	19.5	3.9
Completeness [%]	96.1	96.4
Redundancy	3.4	3.3
CC(1/2)	0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	35 mg/ml BbsCD, 2mM NAD+, 2mM benzylsuccinyl-CoA, 0.2 M Mg(CH3COO)2, 0.1 M sodium cacodylate, pH 6.5 and 20% (w/v) PEG 8000