9D2D

E. coli cysteine desulfurase SufS R359A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-06
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	126.140, 126.140, 133.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.300 - 2.700
R-factor	0.213
Rwork	0.210
R-free	0.24500
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.127	0.801
Number of reflections	27454
<I/σ(I)>	19.31
Completeness [%]	90.9
Redundancy	10.59

Crystallization Conditions

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