7CEP

Crystal structure of L-cycloserine-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	92.800, 92.800, 128.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.180 - 2.050
R-factor	0.1667
Rwork	0.166
R-free	0.18580
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]	40.180	40.180	2.150
High resolution limit [Å]	2.050	10.000	2.050
Rmerge	0.098	0.033	0.962
Rmeas	0.100	0.034	0.985
Total number of observations	827787
Number of reflections	40817	413	5367
<I/σ(I)>	24.13	67.39	3.84
Completeness [%]	100.0	98.8	100
Redundancy	20.28	15.426	21.42
CC(1/2)	0.999	0.999	0.891

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