5TB5

Crystal structure of full-length farnesylated and methylated KRAS4b in complex with PDE-delta (crystal form I - with partially disordered hypervariable region)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	58.386, 70.651, 94.307
Unit cell angles	90.00, 92.40, 90.00

Refinement procedure

Resolution	48.695 - 2.000
R-factor	0.2054
Rwork	0.201
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe 3t5g
RMSD bond length	0.008
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.050
High resolution limit [Å]	1.990	8.920	1.990
Rmerge	0.052	0.023	0.798
Number of reflections	52173
<I/σ(I)>	20.51	49.92	2.62
Completeness [%]	99.2	72.3	98.3
Redundancy	6.2		5.7
CC(1/2)	0.999	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M citrate pH 5.0 and 20% w/v PEG 6000