5VQ8

Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-05
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	H 3
Unit cell lengths	93.900, 93.900, 120.562
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.420 - 2.300
R-factor	0.2201
Rwork	0.217
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	0.942
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.420	67.420	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.101	0.032	0.684
Rmeas	0.111	0.046	0.035
Rpim	0.047	0.019	0.016
Total number of observations	100268
Number of reflections	17602
<I/σ(I)>	12.4
Completeness [%]	99.8	95	100
Redundancy	5.7	5.3	5.8
CC(1/2)	0.997	0.998	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350