3V7I

Germicidin synthase (Gcs) from Streptomyces coelicolor, a type III polyketide synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 41 3 2
Unit cell lengths	182.703, 182.703, 182.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.869 - 2.900
R-factor	0.2304
Rwork	0.229
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.677
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.068	0.030	0.578
Number of reflections	23694
<I/σ(I)>	11.9
Completeness [%]	99.9	99.3	100
Redundancy	10.8	9.8	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	21-25% isopropanol, 400 mM ammonium acetate, 0.1 M Tris buffer pH 8.5-9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K