4RPM

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

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	2014-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97890
Spacegroup name	P 21 21 21
Unit cell lengths	45.670, 52.360, 168.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.010 - 1.400
R-factor	0.1889
Rwork	0.187
R-free	0.20440
Structure solution method	RIGID BODY STARTING FROM 4RO5
Starting model (for MR)	4ro5
RMSD bond length	0.006
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.010	84.010	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.049	0.039	0.539
Number of reflections	79353	993	5680
<I/σ(I)>	12.79	27.98	2.01
Completeness [%]	98.5	95.7	96.6
Redundancy	3.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100 mM Tris HCl pH 7, 20% PEG 8000 and 1.4 mM hexanoyl-CoA, vapor diffusion, hanging drop, temperature 277K