9U8C

Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97942
Spacegroup name	P 21 21 21
Unit cell lengths	88.228, 102.161, 414.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 3.500
R-factor	0.2747
Rwork	0.273
R-free	0.30030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lrm
RMSD bond length	0.005
RMSD bond angle	0.921
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.629
High resolution limit [Å]	3.500	3.504
Number of reflections	45343	3678
<I/σ(I)>	5.9
Completeness [%]	92.8
Redundancy	6.3
CC(1/2)	0.923	0.219

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.8M magnesium sulfate, 0.1M Tris pH8.5