1M17

Epidermal Growth Factor Receptor tyrosine kinase domain with 4-anilinoquinazoline inhibitor erlotinib

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	CCD
Collection date	2001-11-18
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	I 2 3
Unit cell lengths	147.800, 147.800, 147.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.251
Rwork	0.251
R-free	0.29400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1FGK; poly alanine
RMSD bond length	0.011
RMSD bond angle	23.300 *
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.093	0.990
Total number of observations	182345 *
Number of reflections	16628	1635 *
<I/σ(I)>	27	2.8
Completeness [%]	100.0	100
Redundancy	11	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium potassium phosphate	1.0 (M)
2	1	reservoir	MES	0.1 (M)	pH7.0
3	1	drop	protein	8 (mg/ml)