5HCX

EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	110
Detector technology	CCD
Collection date	2013-12-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	I 2 3
Unit cell lengths	146.744, 146.744, 146.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.080 - 2.600
R-factor	0.1935
Rwork	0.192
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 5EM5
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.080	2.700
High resolution limit [Å]	2.600	2.600
Rmerge		0.816
Number of reflections	15892
<I/σ(I)>	16.7	2.2
Completeness [%]	98.0	99.5
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	PEG 10K, ethylene glycol