1S1F

Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	200
Detector technology	CCD
Collection date	2002-10-26
Detector	BRUKER PROTEUM 300
Wavelength(s)	0.9975,1.0055,1.0090
Spacegroup name	P 21 21 21
Unit cell lengths	54.250, 65.553, 104.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.260 - 1.500
R-factor	0.203
Rwork	0.202
R-free	0.21600
Structure solution method	combination with MAD phase and SIR phase
RMSD bond length	0.007
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	SOLVE (V. 2.03)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.260	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.067	0.630
Number of reflections	55989
<I/σ(I)>	27.6	1.5
Completeness [%]	92.5	85.5
Redundancy	25.8	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6	295	sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6	295	sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6	295	sodium, malonic acid, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K