8VBS

E. coli cysteine desulfurase SufS bound to SufE C51A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	91.492, 130.567, 101.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.220 - 3.310
R-factor	0.235
Rwork	0.231
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.514
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.970	3.510
High resolution limit [Å]	3.310	3.310
Rmerge	0.102	0.698
Number of reflections	15872
<I/σ(I)>	16.87	4.28
Completeness [%]	85.1	53.6
Redundancy	11.23	12.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	24.5-31.5% w/v PEG2000 MME, 0.1 M KSCN