9GGY

Human KRas4A (GDP) in complex with compound 29

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	37.012, 40.370, 111.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.945 - 1.266
R-factor	0.1629
Rwork	0.161
R-free	0.19420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.902
Data reduction software	XDS (20180808)
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.945	37.945	1.287
High resolution limit [Å]	1.266	3.434	1.266
Rmerge	0.074	0.042	1.728
Rmeas	0.081	0.046	1.904
Rpim	0.032	0.019	0.790
Number of reflections	45332	2457	2227
<I/σ(I)>	10.9
Completeness [%]	100.0	99.8	100
Redundancy	6.3	5.8	5.7
CC(1/2)	0.999	0.998	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane