3UG1

Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-27
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	I 2 3
Unit cell lengths	141.334, 141.334, 141.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.750
R-factor	0.198
Rwork	0.196
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gs2
RMSD bond length	0.018
RMSD bond angle	1.821
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.750	2.750
Number of reflections	12348
<I/σ(I)>	6.5	1.8
Completeness [%]	99.9	100
Redundancy	5.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	7.1	293	COUNTER DIFFUSION IN MICROGRAVITY CONDITIONS; COUNTER-DIFFUSION METHOD USING JAXA CRYSTALLISATION BOX (JCB). 40mm X 0.5mm CAPILLARIES WERE FILLED WITH 8.1mg/ml PROTEIN SOLUTION AND INSTALLED INTO JCB SYRINGE CASE FILLED WITH MOTHER LIQUOUR (1.7M Sodium CITRATE, 0.1M MES, 7.1). CRYSTALS WERE IN ORBIT FOR 2.5 MONTHS IN THE PROTEIN CRYSTALLISATION RESEARCH FACILITY ON THE JAPANESE EXPERIMENT MODULE OF THE INTERNATIONAL SPACE STATION., Counter Diffusion, temperature 293K