5D41

EGFR kinase domain in complex with mutant selective allosteric inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54180
Spacegroup name	C 1 2 1
Unit cell lengths	155.133, 72.497, 75.998
Unit cell angles	90.00, 113.24, 90.00

Refinement procedure

Resolution	42.237 - 2.310
R-factor	0.1755
Rwork	0.174
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gs7
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.240	2.393
High resolution limit [Å]	2.310	2.310
Rmerge	0.110	0.510
Number of reflections	33377
<I/σ(I)>	10.4	2.9
Completeness [%]	97.8	94
Redundancy	3.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Bis-Tris, PEG3350