1GAG

CRYSTAL STRUCTURE OF THE INSULIN RECEPTOR KINASE IN COMPLEX WITH A BISUBSTRATE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-07-03
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	66.300, 66.300, 138.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.214
Rwork	0.214
R-free	0.26900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ir3
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.114	0.339
Total number of observations	42217 *
Number of reflections	9633 *
<I/σ(I)>	7.6
Completeness [%]	96.5	91.9
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	PEG 8000, Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	inhibitor	0.400 (mM)
3	1	drop		1.2 (mM)
4	1	reservoir	PEG8000	18 (%(w/v))
5	1	reservoir	Tris-HCl	100 (mM)	pH7.5