6KFY

SufS from Bacillus subtilis in a resting state at 1.96 angstrom resolution

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	2019-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	92.900, 92.900, 129.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.067 - 1.970
R-factor	0.1577
Rwork	0.156
R-free	0.18250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zs9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.067	43.067	2.070
High resolution limit [Å]	1.970	10.000	1.970
Rmerge	0.092	0.040	0.757
Rmeas	0.103	0.045	0.843
Total number of observations	445987
Number of reflections	46158	671	12140
<I/σ(I)>	9.23	20.24	2.07
Completeness [%]	99.9	98.4	100
Redundancy	5.062	5.209	5.186
CC(1/2)	0.997	0.998	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Tris-HCl, 50mM lithium sulfate, 50 % (v/v) PEG 200