7SI1

Crystal structure of apo EGFR kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	I 2 3
Unit cell lengths	143.536, 143.536, 143.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.830 - 1.600
R-factor	0.193
Rwork	0.192
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wrg
RMSD bond length	0.010
RMSD bond angle	1.368
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.830	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	64623	6455
<I/σ(I)>	33.51
Completeness [%]	100.0	99.97
Redundancy	20.2	20.6
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	0.1 M MES pH 7.0, 1M Na/K Tartrate