7RRN

E. coli cysteine desulfurase SufS R56A

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	127.150, 127.150, 133.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.790 - 2.300
R-factor	0.2073
Rwork	0.206
R-free	0.23070
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	pdbid 6mr2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.790	31.790	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.068	0.023	0.688
Rmeas	0.071	0.024	0.838
Total number of observations	529845
Number of reflections	48365	627	3276
<I/σ(I)>	25.93	69.6	1.4
Completeness [%]	98.5	96.6	91.5
Redundancy	10.955	8.675	2.784
CC(1/2)	0.999	1.000	0.631

Crystallization Conditions

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