8CNN

BeF3 Phospho-HRas GSA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-18
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9763
Spacegroup name	H 3 2
Unit cell lengths	87.770, 87.770, 132.381
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.170 - 1.480
R-factor	0.16509
Rwork	0.164
R-free	0.18838
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.816
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.920	1.510
High resolution limit [Å]	1.480	1.480
Number of reflections	32936	1622
<I/σ(I)>	15.8	1.2
Completeness [%]	100.0	100
Redundancy	20.3	20.4
CC(1/2)	1.000	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Protein buffer (phospho-HRas pY64 0.4 mM, RasGAP 0.4 mM, Na-HEPES 20 mM pH = 8.0, MgCl2 5 mM, NaF 20 mM) was mixed with precipitant in a 1:1 ratio with a total drop size of 600 nL. The precipitant solution consits of: 100 mM NaOAc, pH = 4.5, 200 mM Li2SO4, 50% PEG400 (v/v). Protein crystals were soaked in precipitant solutions containing 50-100 mM BeCl2 and subsequently flash-frozen using 20% glycerol as cryoprotectant.