4LL0

EGFR L858R/T790M in complex with PD168393

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	2008-07-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	61.640, 72.710, 167.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 4.000
R-factor	0.238
Rwork	0.238
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2itv
RMSD bond length	0.012
RMSD bond angle	2.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.310
High resolution limit [Å]	4.000	4.000
Rmerge	0.099	0.577
Number of reflections	6485
<I/σ(I)>	13.2	2.1
Completeness [%]	97.8	83.9
Redundancy	5.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	0.1M Bicine, 0.5M NaCl, 18% PEG4000, 5mM TCEP, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 293K