2H84

Crystal Structure of the C-terminal Type III Polyketide Synthase (PKS III) Domain of 'Steely1' (a Type I/III PKS Hybrid from Dictyostelium)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	81.957, 83.312, 114.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.130 - 2.900
R-factor	0.201
Rwork	0.199
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model based on PDB ENTRY 1BI5
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.130	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.222	0.535
Number of reflections	17517
<I/σ(I)>	6.6	4.4
Completeness [%]	99.6	99.7
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	17% PEG 17500, 0.5M ammonium formate, 100mM MOPSO-NA+, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K