7YB3

SufS with D-cysteine for 1 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)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	92.900, 92.900, 129.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.490 - 1.800
R-factor	0.1568
Rwork	0.156
R-free	0.17140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
RMSD bond length	0.020
RMSD bond angle	2.354
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.490	46.490	1.900
High resolution limit [Å]	1.800	10.000	1.800
Rmerge	0.106	0.091	0.941
Rmeas	0.112	0.097	0.989
Total number of observations	613504
Number of reflections	60256	410	8926
<I/σ(I)>	12.33	23.43	2.43
Completeness [%]	100.0	98.1	100
Redundancy	10.182	8.598	10.494
CC(1/2)	0.996	0.993	0.802

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