4LRM

EGFR D770_N771insNPG 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)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	114.923, 425.845, 95.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.181 - 3.526
R-factor	0.2269
Rwork	0.225
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jiu
RMSD bond length	0.006
RMSD bond angle	0.985
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.770
High resolution limit [Å]	3.500	3.500
Rmerge	0.151	0.389
Number of reflections	24856
<I/σ(I)>	5.6	1.7
Completeness [%]	85.8	76.1
Redundancy	2.3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Tris, 2% PEG400, 5mM tris(2-carboxyethyl)-phosphine (TCEP), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K