5CAN

EGFR kinase domain mutant "TMLR" with compound 27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	110
Detector technology	CCD
Collection date	2013-11-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 2 3
Unit cell lengths	146.618, 146.618, 146.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.370 - 2.800
R-factor	0.1976
Rwork	0.196
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall
Low resolution limit [Å]	23.400
High resolution limit [Å]	2.800
Number of reflections	12959
<I/σ(I)>	18.8
Completeness [%]	99.2
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	PEG 10000, ethylene glycol