5CAS

EGFR kinase domain mutant "TMLR" with compound 41a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2013-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	I 2 3
Unit cell lengths	146.120, 146.120, 146.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.000 - 2.100
R-factor	0.1836
Rwork	0.182
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall
Low resolution limit [Å]	39.000
High resolution limit [Å]	2.100
Number of reflections	30067
<I/σ(I)>	25.5
Completeness [%]	99.6
Redundancy	6.6

Crystallization Conditions

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