7E6B

Crystal structure of PMP-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, 129.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.440 - 1.840
R-factor	0.1584
Rwork	0.157
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.021
RMSD bond angle	2.457
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	1.940
High resolution limit [Å]	1.840	10.000	1.840
Rmerge	0.066	0.032	0.713
Rmeas	0.068	0.033	0.731
Total number of observations	1104160
Number of reflections	56306	411	8156
<I/σ(I)>	24.35	49.3	4.35
Completeness [%]	100.0	98.3	100
Redundancy	19.61	16.431	20.874
CC(1/2)	1.000	1.000	0.938

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