3T6S

Crystal structure of CerJ from Streptomyces tendae in Complex with CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	106.910, 106.910, 122.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.650 - 2.000
R-factor	0.16198
Rwork	0.160
R-free	0.19675
RMSD bond length	0.012
RMSD bond angle	1.370
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (- Rigid Body)
Refinement software	REFMAC (- Rigid Body)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge		0.491
Number of reflections	48321
<I/σ(I)>		3.73
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	22.5% PEG 4000, 100 mM Tris/HCl pH 8.5, 200 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K