9CC6

De novo design of high-affinity protein binders to RNA binding domain of G3bp1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.96862
Spacegroup name	P 1 21 1
Unit cell lengths	38.426, 42.382, 40.633
Unit cell angles	90.00, 105.53, 90.00

Refinement procedure

Resolution	37.020 - 2.400
R-factor	0.2251
Rwork	0.221
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.020	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.033	0.623
Rpim	0.623
Number of reflections	4698	410
<I/σ(I)>	11	2.2
Completeness [%]	93.4	92
Redundancy	5.3	5
CC(1/2)	0.993	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.05 M Calcium chloride dihydrate, 0.1 M BIS-TRIS pH 6.5, and 30% v/v Polyethylene glycol monomethyl ether 550