9NJN

YK-029a in complex with WT 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-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979338
Spacegroup name	I 2 3
Unit cell lengths	145.864, 145.864, 145.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.930 - 2.240
R-factor	0.2419
Rwork	0.240
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.854
Data reduction software	XDS (BUILT 20241002)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.141	103.141	2.274
High resolution limit [Å]	2.235	6.067	2.235
Rmerge	0.125	0.037	1.377
Rmeas	0.136	0.040	1.492
Number of reflections	25109	1319	1245
<I/σ(I)>	10.6	31.2
Completeness [%]	100.0	99.8
Redundancy	6.9	6.9
CC(1/2)	0.998	0.999	0.358

Crystallization Conditions

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