9NGP

EGFR wildtype in complex with BI-4732

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97935
Spacegroup name	I 2 3
Unit cell lengths	146.207, 146.207, 146.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.380 - 2.400
R-factor	0.2091
Rwork	0.208
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.105
Data reduction software	XDS (BUILT 20241002)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.384	103.384	2.441
High resolution limit [Å]	2.400	6.513	2.400
Rmerge	0.181	0.094	1.588
Rmeas	0.195	0.101
Rpim	0.071	0.038	0.632
Number of reflections	20470	1082	1014
<I/σ(I)>	7.6	18.5	1.4
Completeness [%]	100.0
Redundancy	7.3
CC(1/2)	0.994	0.996	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 MES, 1.0 M sodium citrate, 0.5 mM TCEP