7E6F

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

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, 129.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.440 - 2.740
R-factor	0.1669
Rwork	0.165
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.011
RMSD bond angle	2.055
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	2.840
High resolution limit [Å]	2.740	10.000	2.740
Rmerge	0.110	0.079	0.921
Rmeas	0.113	0.082	0.945
Total number of observations	353349
Number of reflections	17471	413	1746
<I/σ(I)>	19.74	35.69	4.39
Completeness [%]	99.9	98.3	100
Redundancy	20.225	15.884	20.068
CC(1/2)	0.998	0.997	0.918

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