9GGW

Human KRas4A (GDP) in complex with compound 16

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	2017-07-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97998
Spacegroup name	P 21 21 21
Unit cell lengths	37.065, 41.054, 209.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.500 - 1.820
R-factor	0.2358
Rwork	0.234
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.083
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	209.005	209.005	1.849
High resolution limit [Å]	1.818	4.934	1.818
Rmerge	0.144	0.051	0.913
Rmeas	0.166	0.059	1.001
Rpim	0.088	0.031	0.529
Number of reflections	29802	1653	1501
<I/σ(I)>	10.5
Completeness [%]	99.9	99.5	99.9
Redundancy	6.3	5.8	6.5
CC(1/2)	0.997	0.998	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	292	25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane