12XE

Crystal structure of KRAS(Q61K) bound to GppNHp and ligand

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2025-12-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	40.102, 50.732, 91.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.930 - 1.010
R-factor	0.2041
Rwork	0.204
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.014
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX (2.0-5936)
Refinement software	PHENIX (2.0-5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.930	1.030
High resolution limit [Å]	1.010	1.010
Rmerge	0.048
Rmeas	0.052
Rpim	0.020
Number of reflections	98965	4826
<I/σ(I)>	21.5	0.8
Completeness [%]	100.0	100
Redundancy	12.6	11.3
CC(1/2)	1.000	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	15% PEG6000, 5% glycerol