5ZS9

SufS from Bacillus subtilis in the resting state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	91.900, 91.900, 127.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.213 - 2.800
R-factor	0.1832
Rwork	0.180
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.213	43.213	2.900
High resolution limit [Å]	2.800	10.000	2.800
Rmerge	0.107	0.023	0.840
Rmeas	0.114	0.025	0.894
Number of reflections	15771	647	2930
<I/σ(I)>	20.15	76.7	2.7
Completeness [%]	100.0	98.8	100
Redundancy	8.784	8.414	8.767
CC(1/2)	0.998	1.000	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.05M Lithium sulfate, 0.1M Tris-HCl, 50% (v/v) PEG 200