7E6C

Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	92.800, 92.800, 128.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.440 - 1.730
R-factor	0.1536
Rwork	0.152
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.024
RMSD bond angle	2.462
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.440	46.440	1.830
High resolution limit [Å]	1.730	10.000	1.730
Rmerge	0.053	0.026	0.798
Rmeas	0.055	0.026	0.820
Total number of observations	1270688
Number of reflections	67513	410	10350
<I/σ(I)>	28.77	65.03	3.72
Completeness [%]	100.0	98.1	100
Redundancy	18.821	16.005	18.451
CC(1/2)	1.000	0.999	0.913

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