8ZT3

N-acetyltransferase SbzI in the biosynthesis of altemicidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	50.760, 64.396, 93.121
Unit cell angles	108.54, 90.80, 90.01

Refinement procedure

Resolution	44.280 - 2.500
R-factor	0.2038
Rwork	0.201
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.002
RMSD bond angle	0.498
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.280	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.056	0.318
Number of reflections	37967	4248
<I/σ(I)>	9.3	2.6
Completeness [%]	98.2	97.7
Redundancy	3.6	3.7
CC(1/2)	0.996	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl, pH 8.0, 0.2 M KSCN, 25% PEG 3350.