3WD7

Type III polyketide synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 65 2 2
Unit cell lengths	105.999, 105.999, 346.548
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.524 - 2.350
R-factor	0.1846
Rwork	0.183
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cgk
RMSD bond length	0.009
RMSD bond angle	1.208
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	48865
Completeness [%]	99.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100mM HEPES-NaOH, 1400mM ammonium sulfate, 2mM NiCl2, 2mM CoA SH, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K