8WWC

De novo design binder of HRAS -120-4

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	2023-10-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 63
Unit cell lengths	89.967, 89.967, 188.124
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.850 - 2.800
R-factor	0.2208
Rwork	0.218
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.557
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.850	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	21212	2117
<I/σ(I)>	16.46
Completeness [%]	99.9
Redundancy	20.5
CC(1/2)	0.982	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M Bis Tris Propane pH7.5 0.2M Sodium nitrate 20% w/v PEG3350 10%v/v Ethylene glycol