6FIJ

Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1

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	2015-09-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	108.050, 230.200, 253.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.450 - 2.770
R-factor	0.2069
Rwork	0.205
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hg4 4ro5
RMSD bond length	0.002
RMSD bond angle	0.496
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	126.915	2.840
High resolution limit [Å]	2.770	2.770
Rmerge	0.212	1.938
Number of reflections	79860	5448
<I/σ(I)>	10.13	1.03
Completeness [%]	99.2	91.9
Redundancy	8.5	5.6
CC(1/2)	0.995	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	0.2 M MgCl2 0.1 M Bis-Tris Propane pH 6.5 18% (v/v) PEG3350