7E6A

Crystal structure 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	92.600, 92.600, 129.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.340 - 1.960
R-factor	0.156
Rwork	0.155
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.021
RMSD bond angle	2.378
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]	46.340	46.340	2.060
High resolution limit [Å]	1.960	10.000	1.960
Rmerge	0.043	0.029	0.371
Rmeas	0.044	0.029	0.387
Total number of observations	866617
Number of reflections	46459	406	6300
<I/σ(I)>	39.84	79.94	6.46
Completeness [%]	99.8	98.5	98.9
Redundancy	18.653	16.148	12.158
CC(1/2)	1.000	1.000	0.961

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