9OU9

AZD3759 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	2025-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	I 2 3
Unit cell lengths	145.817, 145.817, 145.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.550 - 2.100
R-factor	0.214
Rwork	0.213
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.319
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]	103.108	2.138
High resolution limit [Å]	2.100	2.102
Rmerge	0.101	1.093
Rmeas	0.114	1.233
Rpim	0.052	0.566
Number of reflections	30124	1503
<I/σ(I)>	9.3	1.2
Completeness [%]	100.0	100
Redundancy	4.6	4.7
CC(1/2)	0.997	0.401

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