6BP1

Crystal structure of human KRAS A59G mutant in complex with GCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979320
Spacegroup name	P 21 21 21
Unit cell lengths	34.391, 47.473, 89.665
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.595 - 2.001
R-factor	0.2028
Rwork	0.202
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (dev_2932)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.093	0.315
Rpim	0.041	0.141
Number of reflections	10450	514
<I/σ(I)>	20.32	5.37
Completeness [%]	99.9	100
Redundancy	5.8	5.8
CC(1/2)	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	4% MPD, 0.1 M citric acid, pH 3.5, 20% PEG1500