9LSD

Crystal structure of a polyketide cyclase FasU from Streptomyces kanamyceticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979300
Spacegroup name	P 65
Unit cell lengths	85.669, 85.669, 63.359
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.010 - 2.010
R-factor	0.1879
Rwork	0.186
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.799
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.160	32.160	2.130
High resolution limit [Å]	2.010	5.980	2.010
Rmerge	0.114	0.076	0.489
Rmeas	0.128	0.085	0.544
Number of reflections	17734	688	2857
<I/σ(I)>	8.25
Completeness [%]	99.5
Redundancy	5.4
CC(1/2)	0.989	0.993	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	200 mM Magnesium chloride, 100 mM Tris base/ Hydrochloric acid, 30% (v/v) PEG 400