9G0Y

Human KRas4A (GDP) in complex with compound 11

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	2015-05-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	36.880, 40.240, 110.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.780 - 1.310
R-factor	0.1423
Rwork	0.141
R-free	0.16870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.029
Data reduction software	XDS
Data scaling software	xia2 (0.3.8.0)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.780	22.780	1.340
High resolution limit [Å]	1.310	5.860	1.310
Rmerge	0.084	0.046	1.221
Rmeas	0.101	0.056	1.450
Rpim	0.041	0.024	0.578
Total number of observations	250447
Number of reflections	40396	531	2939
<I/σ(I)>	10.8	30.6	1.3
Completeness [%]	99.7	98.1	100
Redundancy	6.2	5	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	27.5% PEG 8000, 400 mM LiCl