7JU5

Structure of RET protein tyrosine kinase in complex with pralsetinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	50.449, 80.329, 79.840
Unit cell angles	90.00, 100.25, 90.00

Refinement procedure

Resolution	78.570 - 1.900
R-factor	0.191
Rwork	0.188
R-free	0.24750
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6nec
RMSD bond length	0.017
RMSD bond angle	1.823
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0073)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.062	0.532
Rmeas	0.073	0.660
Rpim	0.039	0.383
Number of reflections	47291	2337
<I/σ(I)>	17.18	2
Completeness [%]	95.2	89.4
Redundancy	3.3	2.6
CC(1/2)		0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	21-30% PEG3350 0.1M Na Citrate pH 5.5