8UF2

Apo SOS2 crystal structure in P1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9796
Spacegroup name	P 1
Unit cell lengths	46.665, 52.002, 61.865
Unit cell angles	85.58, 75.30, 76.95

Refinement procedure

Resolution	44.090 - 1.600
R-factor	0.1976
Rwork	0.196
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.850
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	53261	576
<I/σ(I)>	19.4
Completeness [%]	73.7
Redundancy	2.3
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	10% PEG 3350