3IKA

Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	48.230, 89.126, 165.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.830 - 2.900
R-factor	0.21029
Rwork	0.208
R-free	0.25706
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	1.732
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0093)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000	3.120
High resolution limit [Å]	2.900	2.900
Rmerge	0.132	0.399
Number of reflections	16329
<I/σ(I)>	9.3	2.6
Completeness [%]	96.4	89
Redundancy	4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.1M Hepes 7.4, 22% PEG6000, 0.3M NaCl, 5mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.1M Hepes 7.4, 22% PEG6000, 0.3M NaCl, 5mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K