9GH1

Human KRas4A (GMPPNP) in complex with compound 34

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97953
Spacegroup name	C 1 2 1
Unit cell lengths	72.063, 34.426, 69.548
Unit cell angles	90.00, 109.45, 90.00

Refinement procedure

Resolution	26.750 - 1.330
R-factor	0.1979
Rwork	0.195
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.906
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.750	26.750	1.360
High resolution limit [Å]	1.330	5.950	1.330
Rmerge	0.018	0.016	0.592
Rmeas	0.021	0.019	0.703
Rpim	0.011	0.010	0.375
Total number of observations	123621
Number of reflections	36064	402	2514
<I/σ(I)>	30.2
Completeness [%]	97.1	89.5	91.7
Redundancy	3.4	3.2	3.3
CC(1/2)	1.000	0.998	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	20% PEG 3350, 150 mM MgCl2, 10 mM CoCl2, 100 mM HEPES