7E6E

Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in D-cycloserine-inhibition

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	92.400, 92.400, 128.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.240 - 2.280
R-factor	0.1628
Rwork	0.162
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.013
RMSD bond angle	1.962
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]	46.240	46.240	2.380
High resolution limit [Å]	2.280	10.000	2.280
Rmerge	0.066	0.021	0.916
Rmeas	0.068	0.022	0.940
Total number of observations	583407
Number of reflections	29583	406	3539
<I/σ(I)>	29.97	94.73	3.68
Completeness [%]	100.0	98.5	100
Redundancy	19.721	17.505	20.092
CC(1/2)	1.000	1.000	0.901

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