9IAY

Structure of 10 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)	0.885603
Spacegroup name	P 21 21 2
Unit cell lengths	87.459, 40.494, 55.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.900 - 0.953
R-factor	0.1754
Rwork	0.175
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.230
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]	55.500	1.071
High resolution limit [Å]	0.953	0.953
Number of reflections	87352	4368
<I/σ(I)>	9.6
Completeness [%]	94.7
Redundancy	12.3
CC(1/2)	1.000	0.700

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