5TAR

Crystal structure of farnesylated and methylated kras4b in complex with PDE-delta (crystal form II - with ordered hypervariable region)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979200
Spacegroup name	P 21 21 21
Unit cell lengths	58.140, 70.495, 84.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.900
R-factor	0.22596
Rwork	0.223
R-free	0.26575
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe 3t5g
RMSD bond length	0.008
RMSD bond angle	1.302
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.010	1.960
High resolution limit [Å]	1.900	8.530	1.900
Rmerge	0.062	0.032	0.820
Number of reflections	27609
<I/σ(I)>	19.56	43.92	3.3
Completeness [%]	99.8	99.5	99
Redundancy	7.2		7.2
CC(1/2)	0.999	0.999	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES:NaOH pH 7.5 and 2 M ammonium sulfate