2F6R

Crystal structure of Bifunctional coenzyme A synthase (CoA synthase): (18044849) from MUS MUSCULUS at 1.70 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	101.040, 32.370, 95.200
Unit cell angles	90.00, 110.24, 90.00

Refinement procedure

Resolution	28.030 - 1.700
R-factor	0.17984
Rwork	0.178
R-free	0.21100
Structure solution method	MR
Starting model (for MR)	1n3bA
RMSD bond length	0.017
RMSD bond angle	1.724
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.030	28.030	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.053	0.661	0.661
Number of reflections	32283	6213	4910
<I/σ(I)>	12.69	36.95	1.79
Completeness [%]	93.2		99.6
Redundancy	2.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	5.1	277	15.0% iso-Propanol, 20.0% PEG-4000, 0.1M Na,K-Phosphate , pH 5.1, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K