4OI3

Crystal structure analysis of SCO4226 from Streptomyces coelicolor A3(2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	29.574, 66.982, 34.265
Unit cell angles	90.00, 95.02, 90.00

Refinement procedure

Resolution	34.140 - 1.300
R-factor	0.15327
Rwork	0.152
R-free	0.16926
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.073
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.140	1.320
High resolution limit [Å]	1.300	1.300
Rmerge		0.317
Number of reflections	30687
Completeness [%]	93.9	66.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	1.6 M sodium citrate dehydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K