5CAL

EGFR kinase domain mutant "TMLR" with compound 24

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	2012-09-12
Detector	RAYONIX MX-300
Wavelength(s)	1.0000
Spacegroup name	I 2 3
Unit cell lengths	145.973, 145.973, 145.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.160 - 2.700
R-factor	0.2056
Rwork	0.205
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.010
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]	46.200
High resolution limit [Å]	2.700
Number of reflections	14355
<I/σ(I)>	17.9
Completeness [%]	100.0
Redundancy	5

Crystallization Conditions

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