8IA9

SpnK Methyltransferase from the Spinosyn Biosynthetic Pathway in Complex with Mg

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	2021-05-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	134.114, 134.114, 159.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.460 - 2.500
R-factor	0.20964
Rwork	0.208
R-free	0.24327
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.237
Data reduction software	HKL-2000 (v718-Linux)
Data scaling software	HKL-2000 (v718-Linux)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0267)

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	0.129	0.081	0.796
Total number of observations	645766
Number of reflections	51119	2810	2505
<I/σ(I)>	5.1
Completeness [%]	100.0	99.9	100
Redundancy	12.6	11.6	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	100 mM Sodium citrate, pH 6.3, 34% v/v PEG 200, VAPOR DIFFUSION, SITTING DROP, temperature 293K