2ZDS

Crystal Structure of SCO6571 from Streptomyces coelicolor A3(2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-09
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	84.481, 171.593, 184.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.167
Rwork	0.167
R-free	0.21000
Structure solution method	SAD
RMSD bond length	0.021
RMSD bond angle	1.921
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.053	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	0.207
Number of reflections	120397
<I/σ(I)>	18.9	6.1
Completeness [%]	99.9	99.7
Redundancy	6.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	25% PEG 3350, 250mM sodium tartarate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K