9IB5

Structure of 18 (BI-2493) in complex with GDP-KRAS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.88560
Spacegroup name	P 21 21 2
Unit cell lengths	85.639, 40.784, 56.002
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.770 - 1.011
R-factor	0.173
Rwork	0.172
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.200
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (23-JAN-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000	1.122
High resolution limit [Å]	1.011	1.011
Number of reflections	76449	3822
<I/σ(I)>	13.1
Completeness [%]	95.6
Redundancy	13
CC(1/2)	1.000	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4