5HIB

EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	110
Detector technology	CCD
Collection date	2012-02-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	I 2 3
Unit cell lengths	146.357, 146.357, 146.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.280 - 2.850
R-factor	0.1968
Rwork	0.195
R-free	0.23880
RMSD bond length	0.008
RMSD bond angle	1.030
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.950
High resolution limit [Å]	2.850	2.850
Rmerge		0.578
Number of reflections	12345
<I/σ(I)>	30.9	6
Completeness [%]	100.0	100
Redundancy	13.4	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	PEG 10K, ethylene glycol