5CAO

EGFR kinase domain mutant "TMLR" with compound 29

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	149.159, 149.159, 149.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.800 - 2.600
R-factor	0.2032
Rwork	0.202
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.000
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]	24.800
High resolution limit [Å]	2.600
Number of reflections	17033
<I/σ(I)>	20.9
Completeness [%]	99.9
Redundancy	6.2

Crystallization Conditions

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