9GGT

Human KRas4A (GDP) in complex with compound 8

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9163
Spacegroup name	P 21 21 21
Unit cell lengths	37.340, 40.870, 112.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.450 - 1.710
R-factor	0.2099
Rwork	0.207
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.005
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]	37.340	37.340	1.750
High resolution limit [Å]	1.710	7.650	1.710
Rmerge	0.114	0.041	0.727
Rmeas	0.141	0.047	0.902
Rpim	0.057	0.020	0.358
Total number of observations	116422
Number of reflections	19159	270	1373
<I/σ(I)>	12.6	36.3	2.4
Completeness [%]	99.5	99.1	99.8
Redundancy	6.1	5.6	6.1

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