9MSR

BDTX-1535 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-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	I 2 3
Unit cell lengths	145.775, 145.775, 145.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 1.930
R-factor	0.1988
Rwork	0.197
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.301
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	Outer shell
Low resolution limit [Å]	103.078	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.121	1.376
Rmeas	0.130	1.476
Rpim	0.045	0.526
Number of reflections	36302	1500
<I/σ(I)>	12.4
Completeness [%]	93.7
Redundancy	8
CC(1/2)	0.998	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1.0 M sodium citrate, 0.1 M MES, 5.0 mM TCEP