6JZW

Crystal structure of SufU from Bacillus subtilis with Cys persulfurated

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	PIXEL
Collection date	2018-06-29
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.9
Spacegroup name	C 1 2 1
Unit cell lengths	146.690, 35.520, 105.220
Unit cell angles	90.00, 96.41, 90.00

Refinement procedure

Resolution	44.924 - 2.640
R-factor	0.243
Rwork	0.242
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xt5
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.924	44.924	2.740
High resolution limit [Å]	2.640	10.000	2.640
Rmerge	0.126	0.038	0.970
Rmeas	0.129	0.039	0.992
Total number of observations	720551
Number of reflections	16349	573	3268
<I/σ(I)>	20.44	58.8	4.02
Completeness [%]	99.7	99.1	99.1
Redundancy	23.28	23.867	22.951
CC(1/2)	0.999	1.000	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M Potassium thiocyanate, 0.1M Tris, 10% w/v PEG 8000, 10% w/v PEG 1000