5CAP

EGFR kinase domain mutant "TMLR" with compound 30

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	110
Detector technology	CCD
Collection date	2013-05-22
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	I 2 3
Unit cell lengths	149.007, 149.007, 149.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.800 - 2.400
R-factor	0.1914
Rwork	0.191
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
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]	25.800
High resolution limit [Å]	2.400
Number of reflections	21591
<I/σ(I)>	21.2
Completeness [%]	99.9
Redundancy	6.3

Crystallization Conditions

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