7CES

Crystal structure of L-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 BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	92.700, 92.700, 128.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.140 - 2.200
R-factor	0.1797
Rwork	0.179
R-free	0.20060
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]	40.140	40.140	2.300
High resolution limit [Å]	2.200	10.000	2.200
Rmerge	0.088	0.044	0.889
Rmeas	0.090	0.045	0.914
Total number of observations	653777
Number of reflections	33104	406	4057
<I/σ(I)>	24.43	72.19	3.42
Completeness [%]	100.0	98.1	100
Redundancy	19.749	16.059	18.026
CC(1/2)	0.999	0.999	0.884

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