5FEE

EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	I 2 3
Unit cell lengths	145.097, 145.097, 145.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.236 - 2.700
R-factor	0.1923
Rwork	0.188
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jit
RMSD bond length	0.015
RMSD bond angle	1.443
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.077	0.787
Number of reflections	14118
<I/σ(I)>	23.8	2.19
Completeness [%]	100.0	100
Redundancy	6.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	1.2M potassium sodium tartrate, 0.1M HEPES pH 7.5