7S6B

Crystal structure of modular polyketide synthase apo-Lsd14 from the Lasalocid biosynthesis pathway, trapped in the transacylation step

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	87.740, 92.850, 107.450
Unit cell angles	99.63, 94.93, 106.07

Refinement procedure

Resolution	39.200 - 2.350
R-factor	0.2076
Rwork	0.206
R-free	0.24110
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	2.410
High resolution limit [Å]	2.350	2.350
Number of reflections	130003	9300
<I/σ(I)>	18.5	1.3
Completeness [%]	98.1	94.2
Redundancy	26.3	15.2
CC(1/2)	0.999	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	0.2 M lithium sulfate, 0.015 M magnesium sulfate, 0.1 M sodium acetate, pH 4.0, and 22% polyacrylic acid 5100
1	VAPOR DIFFUSION, SITTING DROP	4	291	0.2 M lithium sulfate, 0.015 M magnesium sulfate, 0.1 M sodium acetate, pH 4.0, and 22% polyacrylic acid 5100
1	VAPOR DIFFUSION, SITTING DROP	4	291	0.2 M lithium sulfate, 0.015 M magnesium sulfate, 0.1 M sodium acetate, pH 4.0, and 22% polyacrylic acid 5100