8AU3

c-MET Y1234E,Y1235E mutant in complex with Tepotinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-26
Detector	DECTRIS EIGER R 1M
Wavelength(s)	1.000040
Spacegroup name	F 2 2 2
Unit cell lengths	116.676, 139.120, 240.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	120.060 - 2.260
R-factor	0.198
Rwork	0.197
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r1v
RMSD bond length	0.011
RMSD bond angle	1.570
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	120.060	2.542
High resolution limit [Å]	2.257	2.257
Rmerge	0.087	1.182
Rmeas	0.092	1.272
Rpim	0.032	0.462
Number of reflections	28169	1408
<I/σ(I)>	14.9	1.8
Completeness [%]	92.2	66.6
Redundancy	8.2	7.2
CC(1/2)	0.999	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	3.4 M NaFormiate, 0.1 M MES