8YSP

Crystal structure of a cyanobacteria type III polyketide synthase CylI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-20
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	48.812, 110.274, 133.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.060 - 2.000
R-factor	0.2276
Rwork	0.225
R-free	0.27110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.060	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	49001	4853
<I/σ(I)>	28.74	10.38
Completeness [%]	98.6
Redundancy	4.7
CC(1/2)	0.997	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	30% PEG 4000, 0.1 M Tris-HCl, pH 8.5, 0.2 M magnesium chloride