8SUU

Crystal structure of YisK from Bacillus subtilis in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	120
Detector technology	PIXEL
Collection date	2019-11-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	53.937, 93.768, 125.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.930 - 2.260
R-factor	0.21376
Rwork	0.211
R-free	0.25478
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.141
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.930	2.320
High resolution limit [Å]	2.260	2.260
Rmerge	0.117	2.209
Rpim	0.070	1.423
Number of reflections	30609	2217
<I/σ(I)>	11.9
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.998	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M Mg-acetate and 20% (w/v) PEG 3350