9PWI

EGFR kinase bound to ZNL-1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	70.391, 70.391, 161.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.540 - 2.600
R-factor	0.2251
Rwork	0.224
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.607
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.540	2.650
High resolution limit [Å]	2.600	2.600
Rmerge	0.091	1.108
Rmeas	0.099	1.201
Rpim	0.039	0.458
Total number of observations	85027	4232
Number of reflections	13196	632
<I/σ(I)>	10.9	0.9
Completeness [%]	100.0
Redundancy	6.4	6.7
CC(1/2)	0.996	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	3.5 M sodium formate pH 7.0