8JPU

Crystal Structure of the acyltransferase domain from the fifth module of the tylosin polyketide synthase

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	2021-05-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	65.949, 138.376, 209.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.460 - 2.500
R-factor	0.20526
Rwork	0.202
R-free	0.26301
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.834
Data reduction software	HKL-2000 (v718)
Data scaling software	HKL-2000 (v718)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.109	0.042	0.745
Rmeas	0.118	0.044	0.817
Rpim	0.043	0.014	0.313
Total number of observations	324871
Number of reflections	52874	2628	2476
<I/σ(I)>	5.5
Completeness [%]	78.2	71.6	74.2
Redundancy	6.1	7.8	5.5
CC(1/2)	0.996	0.998	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M lithium sulfate, 0.1 M Tris pH 7.5, 29% PEG3350,VAPOR DIFFUSION, SITTING DROP, temperature 293K