7XEK

SufS with D-cysteine for 6 h

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	2019-10-26
Detector	DECTRIS PILATUS3 S 6M
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	46.400 - 1.880
R-factor	0.1504
Rwork	0.149
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.021
RMSD bond angle	2.450
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]	46.400	46.400	1.980
High resolution limit [Å]	1.880	10.000	1.880
Rmerge	0.052	0.013	0.663
Rmeas	0.056	0.014	0.717
Total number of observations	345688
Number of reflections	52726	406	7544
<I/σ(I)>	21.75	69.5	2.72
Completeness [%]	99.8	97.1	100
Redundancy	6.556	6.123	6.777
CC(1/2)	1.000	1.000	0.824

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