5ZSK

SufS from Bacillus subtilis soaked with L-cysteine for 63 sec

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	91.800, 91.800, 127.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.900 - 3.240
R-factor	0.2081
Rwork	0.206
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.900	45.900	3.340
High resolution limit [Å]	3.240	10.000	3.240
Rmerge	0.185	0.033	0.898
Rmeas	0.204	0.036	0.986
Number of reflections	10298	650	1714
<I/σ(I)>	10.67	40.39	2.19
Completeness [%]	99.9	98.9	100
Redundancy	5.818	5.675	5.845
CC(1/2)	0.991	0.999	0.740

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, 5mM L-cysteine