4G5P

Crystal structure of EGFR kinase T790M in complex with BIBW2992

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	51.230, 89.430, 164.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.480 - 3.170
R-factor	0.24658
Rwork	0.244
R-free	0.32265
RMSD bond length	0.008
RMSD bond angle	1.065
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.480	3.430
High resolution limit [Å]	3.170	3.170
Rmerge		0.355
Number of reflections	11931
<I/σ(I)>	4.9	1.8
Completeness [%]	89.9	88.8
Redundancy	4.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1