6GJ5

CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	42.074, 40.043, 94.284
Unit cell angles	90.00, 101.14, 90.00

Refinement procedure

Resolution	36.748 - 1.499
R-factor	0.1852
Rwork	0.184
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4epv
RMSD bond length	0.004
RMSD bond angle	1.120
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.13rc1_2961: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.748	1.553
High resolution limit [Å]	1.499	1.499
Rmerge	0.075
Number of reflections	49619
<I/σ(I)>	2.7
Completeness [%]	99.6
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	30% PEG3350, 0.2 M potassium acetate