6SMO

AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 41
Unit cell lengths	107.650, 107.650, 201.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.2289
Rwork	0.226
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sm4 1tqy
RMSD bond length	0.002
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.123	0.590
Number of reflections	61596	6401
<I/σ(I)>	8.8	2.3
Completeness [%]	98.2
Redundancy	2.9
CC(1/2)	0.990	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.1 M BIS-TRIS, 0.4 M (NH4)2SO4, 29% PEG 3350