9GH0

Human KRas4A (GMPPNP) in complex with compound 32

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	2020-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	72.037, 34.230, 69.527
Unit cell angles	90.00, 109.71, 90.00

Refinement procedure

Resolution	28.920 - 1.570
R-factor	0.214
Rwork	0.213
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.683
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]	28.920	28.920	1.610
High resolution limit [Å]	1.570	7.030	1.570
Rmerge	0.028	0.015	0.515
Rmeas	0.033	0.018	0.633
Rpim	0.018	0.010	0.361
Total number of observations	73005
Number of reflections	22125	262	1458
<I/σ(I)>	20.3
Completeness [%]	98.6	95.8	88
Redundancy	3.3	3.1	2.6
CC(1/2)	1.000	1.000	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	24% PEG 3350, 100 mM MgCl2, 10 mM CoCl2, 100 mM HEPES