3I81

Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-05
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	107.366, 41.097, 78.816
Unit cell angles	90.00, 120.57, 90.00

Refinement procedure

Resolution	25.470 - 2.080
Rwork	0.221
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.950
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BUSTER (2.9.1)
Refinement software	BUSTER (2.9.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.080	2.080
Rmerge	0.055	0.156
Number of reflections	17757
<I/σ(I)>	21.2	5.8
Completeness [%]	98.0	84
Redundancy	3.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1