8F0M

Monobody 12D5 bound to KRAS(G12D)

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	PIXEL
Collection date	2022-09-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 2 21
Unit cell lengths	151.386, 44.733, 88.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.900 - 2.440
R-factor	0.2031
Rwork	0.201
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 7L0G & 5VPZ
RMSD bond length	0.003
RMSD bond angle	0.660
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.480
High resolution limit [Å]	2.440	2.440
Rmerge	0.091	0.308
Rmeas	0.110	0.373
Rpim	0.061	0.207
Number of reflections	23370	1168
<I/σ(I)>	12.4	5
Completeness [%]	98.4	99.7
Redundancy	3.3	3.2
CC(1/2)	0.939	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium sulfate decahydrate, 20% w/v PEG3350, 0.05% w/v benzamidine hydrochloride