9CMV

Crystal structure of the KRAS-p110alpha complex in the presence of molecular glue D223

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	58.478, 127.340, 190.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.900 - 3.010
R-factor	0.234
Rwork	0.231
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.394
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.900	56.900	3.190
High resolution limit [Å]	3.010	8.970	3.010
Rmerge	0.112	0.033	1.045
Number of reflections	28580	1165	4580
<I/σ(I)>	11.2	36.5	1.51
Completeness [%]	98.1	94.2	98.7
Redundancy	4.5	4	4.5
CC(1/2)	0.996	0.998	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris, 0.1 M NaCl, 10 % PEG 20K