7FFG

Diarylpentanoid-producing polyketide synthase (N199F mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-16
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	146.617, 65.136, 108.019
Unit cell angles	90.00, 128.11, 90.00

Refinement procedure

Resolution	41.700 - 2.300
R-factor	0.189
Rwork	0.187
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ffa
RMSD bond length	0.004
RMSD bond angle	0.745
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.490	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.058	0.520
Number of reflections	35813	3480
<I/σ(I)>	17.7	3.4
Completeness [%]	99.9	100
Redundancy	6.9	7.2
CC(1/2)	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris-HCl, pH 8.5, 25% PEG 8000, 0.3M KF, 4% butanediol