7CEO

Crystal structure of PMP-bound form of cysteine desulfurase SufS from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	92.780, 92.780, 128.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.390 - 2.430
R-factor	0.177
Rwork	0.176
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.390	46.390	2.530
High resolution limit [Å]	2.430	10.000	2.430
Rmerge	0.169	0.085	0.949
Rmeas	0.176	0.089	0.985
Total number of observations	337305
Number of reflections	24722	412	2761
<I/σ(I)>	11.83	24.36	3.1
Completeness [%]	100.0	98.6	100
Redundancy	13.644	10.985	14.309
CC(1/2)	0.995	0.994	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Tris-HCl, 50 mM Lithium sulfate, 50%(v/v) PEG200