6O10

E. coli cysteine desulfurase SufS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	126.400, 126.400, 133.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.922 - 2.000
R-factor	0.183
Rwork	0.182
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jf9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.922	45.922	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.111	0.056	4.126
Rmeas	0.113	0.058	4.211
Total number of observations	1964971
Number of reflections	73469	945	5347
<I/σ(I)>	17.26	49.5	0.84
Completeness [%]	100.0	99.9	100
Redundancy	26.746	23.835	24.969
CC(1/2)	0.999	0.999	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	4-4.5 M sodium chloride, 100 mM MES