7XEJ

SufS with D-cysteine for 5 min

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	2021-03-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980
Spacegroup name	P 31 2 1
Unit cell lengths	92.900, 92.900, 129.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.450 - 1.740
R-factor	0.1462
Rwork	0.145
R-free	0.17560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.023
RMSD bond angle	2.629
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]	46.450	46.450	1.840
High resolution limit [Å]	1.740	10.000	1.740
Rmerge	0.064	0.040	0.792
Rmeas	0.068	0.042	0.833
Total number of observations	677985
Number of reflections	66778	410	10195
<I/σ(I)>	19.05	43.72	3.02
Completeness [%]	100.0	97.6	100
Redundancy	10.153	8.485	10.393
CC(1/2)	0.999	0.998	0.846

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