4WKQ

1.85 angstrom structure of EGFR kinase domain with gefitinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 2 3
Unit cell lengths	143.714, 143.714, 143.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.850
R-factor	0.19572
Rwork	0.194
R-free	0.22457
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ity
RMSD bond length	0.013
RMSD bond angle	1.685
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.620	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	42074
<I/σ(I)>	19.4	1
Completeness [%]	99.9	99.9
Redundancy	40.6	20.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1 M MES, pH 7.0, 1 M sodium citrate