5XGM

Crystal structure of EGFR 696-1022 T790M in complex with Go6976

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	I 2 3
Unit cell lengths	146.310, 146.310, 146.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.267 - 2.952
R-factor	0.204
Rwork	0.203
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jit
RMSD bond length	0.009
RMSD bond angle	1.102
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.270
High resolution limit [Å]	2.950
Number of reflections	11044
<I/σ(I)>	30.3
Completeness [%]	100.0
Redundancy	39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	0.1M NaCl,0.05M Glycine pH 9.5, 39% PEG 300