7VYU

Crystal structure of NatS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	P 32
Unit cell lengths	102.830, 102.830, 66.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.660 - 1.800
R-factor	0.1822
Rwork	0.181
R-free	0.20490
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.030	37.030	1.840
High resolution limit [Å]	1.800	9.010	1.800
Rmerge	0.133	0.078	1.098
Rmeas	0.140	0.082	1.159
Rpim	0.043	0.024	0.366
Total number of observations	737467	6207	37433
Number of reflections	72375	581	3919
<I/σ(I)>	11.2	27.1	1.9
Completeness [%]	99.4	98.7	91.8
Redundancy	10.2	10.7	9.6
CC(1/2)	0.997	0.997	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG 4000, magnesium sulphate, glycerol, Tris(hydroxymethyl)methyl aminomethane