5FED

EGFR kinase domain 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	2011-09-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	I 2 3
Unit cell lengths	145.584, 145.584, 145.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.434 - 2.651
R-factor	0.1865
Rwork	0.185
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j6m
RMSD bond length	0.009
RMSD bond angle	1.054
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	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.083	0.683
Number of reflections	15067
<I/σ(I)>	22.6	2.72
Completeness [%]	100.0	100
Redundancy	6.2	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	293	1.35M potassium sodium tartrate, 0.1M HEPES pH 7.9