8ARM

Crystal structure of LSSmScarlet2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-05
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.967697
Spacegroup name	C 1 2 1
Unit cell lengths	84.618, 45.373, 58.744
Unit cell angles	90.00, 102.09, 90.00

Refinement procedure

Resolution	15.000 - 1.410
Rwork	0.113
R-free	0.15230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lk4
RMSD bond length	0.011
RMSD bond angle	1.752
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.800	1.450
High resolution limit [Å]	1.410	1.410
Rmeas		0.260
Number of reflections	42307	2725
<I/σ(I)>	15.5	4.43
Completeness [%]	97.6
Redundancy	1.56
CC(1/2)	1.000	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, MES pH6.0