8AI1

Crystal structure of radical SAM epimerase EpeE from Bacillus subtilis with [4Fe-4S] clusters and S-adenosyl-L-homocysteine 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	76.220, 92.330, 127.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.960 - 2.400
R-factor	0.1944
Rwork	0.193
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Fe-SAD Exprimental model
RMSD bond length	0.008
RMSD bond angle	0.910
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]	48.970	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.141	1.595
Rmeas	0.146	1.661
Rpim	0.038	0.460
Number of reflections	534028	48252
<I/σ(I)>	12.7
Completeness [%]	99.8
Redundancy	14.8
CC(1/2)	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	17.5% (w/v) PEG 1000, 0.1 M Tris