7CER

Crystal structure of D-cycloserine-bound form of cysteine desulfurase SufS H121A from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	92.500, 92.500, 128.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.510 - 2.300
R-factor	0.1783
Rwork	0.176
R-free	0.21700
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]	43.510	43.510	2.400
High resolution limit [Å]	2.300	10.000	2.300
Rmerge	0.069	0.016	0.655
Rmeas	0.072	0.017	0.690
Total number of observations	281700
Number of reflections	28762	406	3390
<I/σ(I)>	24.65	76.87	3.81
Completeness [%]	100.0	98.5	100
Redundancy	9.794	9.3	10.337
CC(1/2)	0.999	1.000	0.888

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