4RO5

Crystal structure of the SAT domain from the non-reducing fungal polyketide synthase CazM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.94200
Spacegroup name	P 21 21 21
Unit cell lengths	43.130, 52.160, 163.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.540 - 1.600
R-factor	0.1884
Rwork	0.187
R-free	0.21530
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.059
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.540	81.540	1.640
High resolution limit [Å]	1.600	7.150	1.600
Rmerge	0.047	0.021	0.264
Number of reflections	48603	924	6112
<I/σ(I)>	11.53	27.88	2.98
Completeness [%]	92.7	86.7	88.1
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	100 mM Tris HCl pH 7 and 20% PEG 8000, vapor diffusion, hanging drop, temperature 277K