6DUK

EGFR with an allosteric inhibitor

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]	298
Detector technology	CCD
Collection date	2015-11-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	57.481, 94.711, 97.398
Unit cell angles	70.38, 77.46, 79.14

Refinement procedure

Resolution	88.504 - 2.200
R-factor	0.1906
Rwork	0.190
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
RMSD bond length	0.009
RMSD bond angle	1.164
Data reduction software	ABS
Data scaling software	ABS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.460	2.120
High resolution limit [Å]	2.090	2.090
Rmerge	0.106	1.281
Rpim	0.063	0.912
Number of reflections	108372	13035
<I/σ(I)>	25.75
Completeness [%]	97.2
Redundancy	12.4
CC(1/2)	0.996	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris, 22% PEG3350, 150 mM NaCl