4ZSE

Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	71.820, 102.317, 86.752
Unit cell angles	90.00, 101.24, 90.00

Refinement procedure

Resolution	23.859 - 1.970
R-factor	0.1913
Rwork	0.190
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ZQJ
RMSD bond length	0.015
RMSD bond angle	1.378
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.052	0.325
Number of reflections	82387
<I/σ(I)>	15.9	2
Completeness [%]	94.3	88.9
Redundancy	2.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	25% PEG 3350, 100mM Bis-Tris pH 6.0