8AI2

Crystal structure of radical SAM epimerase EpeE from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and RiPP peptide 5 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	79.730, 92.370, 126.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.190 - 2.393
R-factor	0.1879
Rwork	0.186
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Fe-SAD Exprimental model
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.190	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.118	1.411
Rmeas	0.122	1.458
Rpim	0.031	0.366
Number of reflections	571609	60066
<I/σ(I)>	14.8	1.9
Completeness [%]	99.9
Redundancy	15.2
CC(1/2)	0.999	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	14% (w/v) PEG 1000, Tris 0.1 M