9Q0S

JCN037 in complex with wild-type EGFR

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	2025-06-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	I 2 3
Unit cell lengths	145.544, 145.544, 145.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.770 - 2.460
R-factor	0.199
Rwork	0.197
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.977
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.772	2.507
High resolution limit [Å]	2.460	2.464
Rmerge	0.169	1.498
Rmeas	0.181	1.600
Rpim	0.063	0.558
Number of reflections	17657	910
<I/σ(I)>	9.9	1.5
Completeness [%]	94.6
Redundancy	8.1
CC(1/2)	0.997	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M MES, 1 M sodium citrate, 5 mM TCEP