6SMD

PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase

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	2016-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.580, 84.600, 158.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.300
R-factor	0.2332
Rwork	0.232
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g1h
RMSD bond length	0.007
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.400
High resolution limit [Å]	3.300	3.300
Rmerge	0.133	0.474
Number of reflections	16593	1402
<I/σ(I)>	9.6	3.6
Completeness [%]	99.3
Redundancy	4.7
CC(1/2)	0.991	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.8 M Na/K-phosphate, 4% polypropylene glycol P400