8AI6

Crystal structure of radical SAM epimerase EpeE D210A mutant from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and persulfurated cysteine 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	2021-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	75.820, 92.250, 127.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.700 - 1.950
R-factor	0.1912
Rwork	0.190
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Fe-SAD experimental 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]	48.700	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.130	2.032
Rmeas	0.135	2.101
Rpim	0.036	0.532
Number of reflections	962748	74413
<I/σ(I)>	13.1	1.1
Completeness [%]	100.0
Redundancy	14.7
CC(1/2)	0.975	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	15% (w/v) PEG 1000, 100 mM Tris