9GGU

Human KRas4A (GDP) in complex with compound 9

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	2014-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.87
Spacegroup name	P 21 21 21
Unit cell lengths	37.050, 40.240, 110.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.170 - 1.600
R-factor	0.1765
Rwork	0.175
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.059
Data reduction software	XDS
Data scaling software	xia2 (0.3.6.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.170	26.170	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.049	0.023	0.539
Rmeas	0.064	0.031	0.682
Rpim	0.030	0.015	0.317
Total number of observations	96255
Number of reflections	22384	278	1627
<I/σ(I)>	16.3	46.9	2.4
Completeness [%]	99.1	93.2	99.7
Redundancy	4.3	3.9	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	292	25% PEG 8000, 300 mM LiCl, 100 mM bis-tris propane