9I7Y

Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor 7b

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	C 1 2 1
Unit cell lengths	70.010, 84.760, 88.770
Unit cell angles	90.00, 113.25, 90.00

Refinement procedure

Resolution	42.380 - 1.850
R-factor	0.1917
Rwork	0.190
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.249
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.850	1.850
Rmeas	0.046	1.269
Number of reflections	40664	3102
<I/σ(I)>	18.37	1.37
Completeness [%]	99.8	99.7
Redundancy	6.86	6.43
CC(1/2)	0.999	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	30 % PEG4000, 100 mM NaAc pH 9.0, 200 mM Tris pH 9.0 followed by shrinking of the crystal in new drop with crytallization condition, SEC buffer and 20 % glycerol for 24 h.