6P8Q

EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	57.151, 72.874, 79.927
Unit cell angles	100.16, 103.16, 95.61

Refinement procedure

Resolution	21.439 - 1.900
R-factor	0.1694
Rwork	0.168
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gs7
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.940
High resolution limit [Å]	1.900	4.680	1.900
Rmerge	0.060	0.027	0.287
Total number of observations	173254
Number of reflections	87992	6300	4051
<I/σ(I)>	9.7
Completeness [%]	91.0	97.6	63
Redundancy	2	2	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	PEG 3350, Bis-Tris