9FZS

Wild-type EGFR in complex with non-covalent poziotinib analogue

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.898417
Spacegroup name	I 2 3
Unit cell lengths	145.097, 145.097, 145.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.240 - 2.121
Rwork	0.194
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.597
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.240	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.103	4.960
Number of reflections	1173688	99494
<I/σ(I)>	23.2	1
Completeness [%]	100.0
Redundancy	40.6
CC(1/2)	1.000	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	25mM TRIS-HCL pH8.0, 150mM NaCl, 5% Glycerol, 1mM TCEP, 100mM HEPES pH 7.4, 40% PEG400