9PVF

KRAS complex with UM0152533 compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 41
Unit cell lengths	99.640, 99.640, 140.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.660 - 2.000
R-factor	0.1778
Rwork	0.176
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.312
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.660	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.088	1.059
Rmeas	0.098	1.146
Rpim	0.037	0.435
Number of reflections	92437	9226
<I/σ(I)>	14.56	2.09
Completeness [%]	100.0	100
Redundancy	6.7	6.9
CC(1/2)	0.999	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293.15	0.1 M Bis-Tris, 0.2 M MgCl2, 25 % PEG 3,350