5KP8

Crystal Structure of the Curacin Biosynthetic Pathway HMG Synthase in Complex with Acetyl Donor-ACP

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	PIXEL
Collection date	2014-11-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 31 2 1
Unit cell lengths	100.892, 100.892, 104.461
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	87.380 - 1.900
R-factor	0.158
Rwork	0.157
R-free	0.18200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5kp5 5kp6
RMSD bond length	0.009
RMSD bond angle	1.352
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	87.380
High resolution limit [Å]	1.900
Rmerge	0.116
Number of reflections	48869
<I/σ(I)>	16.9
Completeness [%]	100.0
Redundancy	19.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	6% PEG 8000, 100 mM (NH4)2SO4, 1X MMT pH 6.5