9G4B

Human KRas4A (GDP) in complex with compound 15

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	2016-10-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97632
Spacegroup name	P 21 21 21
Unit cell lengths	37.010, 40.140, 110.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.120 - 1.140
R-factor	0.1648
Rwork	0.163
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.094
Data reduction software	XDS
Data scaling software	xia2
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.010	37.030	1.160
High resolution limit [Å]	1.140	3.090	1.140
Rmerge	0.047
Rmeas	0.052	0.026	0.900
Rpim	0.021	0.011	0.479
Number of reflections	61058	3302	2950
<I/σ(I)>	18.2	65.2	1.6
Completeness [%]	100.0	100	97.8
Redundancy	5.9	6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.7	292	25% PEG 8000, 500 mM LiCl, 100 mM bis-tris propane