6S9B

EGFR-KINASE IN COMPLEX WITH COMPOUND 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00004291534
Spacegroup name	I 2 3
Unit cell lengths	144.597, 144.597, 144.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.250 - 3.250
R-factor	0.1862
Rwork	0.183
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.144
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.250	102.250
High resolution limit [Å]	3.250	3.250
Rmerge	0.076	0.443
Rmeas	0.086	0.020
Total number of observations	34828
Number of reflections	7837	31
<I/σ(I)>	17.29	58.78
Completeness [%]	96.8	97.7
Redundancy	4.4	4.2
CC(1/2)	0.998	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% PEG 10000 8% Ethylene glycol 0.1 M HEPES