8IAA

SpnK Methyltransferase from the Spinosyn Biosynthetic Pathway in Complex with SAH

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	2021-05-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	133.975, 133.975, 160.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.630 - 2.100
R-factor	0.20263
Rwork	0.201
R-free	0.22781
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.078
Data reduction software	HKL-2000 (v718)
Data scaling software	HKL-2000 (v718)
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.096	0.044	0.898
Rmeas	0.101	0.046	0.938
Rpim	0.029	0.014	0.268
Total number of observations	988878
Number of reflections	85935	4650	4241
<I/σ(I)>	5.7
Completeness [%]	100.0	99.8	100
Redundancy	11.5	10.7	11.9
CC(1/2)	0.996	0.999	0.857

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