7FFC

Diarylpentanoid-producing polyketide synthase (A210E 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	2020-02-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	108.020, 126.893, 118.166
Unit cell angles	90.00, 99.38, 90.00

Refinement procedure

Resolution	49.130 - 2.610
R-factor	0.2198
Rwork	0.219
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ffa
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.650
High resolution limit [Å]	2.610	2.610
Rmerge	0.141	0.748
Number of reflections	95054	4146
<I/σ(I)>	6	1.6
Completeness [%]	99.3	87.7
Redundancy	3.9	3.7
CC(1/2)	0.991	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris-HCl, pH 8.5, 15% PEG 8000, 0.12M KF, 4% butanediol