7FFH

Diarylpentanoid-producing polyketide synthase (N199L mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	146.405, 65.196, 108.394
Unit cell angles	90.00, 128.11, 90.00

Refinement procedure

Resolution	40.510 - 2.200
R-factor	0.2155
Rwork	0.213
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yjy
RMSD bond length	0.008
RMSD bond angle	0.916
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]	42.640	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.043	0.360
Number of reflections	40917	3522
<I/σ(I)>	15.1	3.3
Completeness [%]	99.7	99.7
Redundancy	4.4	4.5
CC(1/2)	0.999	0.954

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