4OGA

Insulin in complex with Site 1 of the human insulin receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 2 3
Unit cell lengths	169.040, 169.040, 169.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 3.500
R-factor	0.2654
Rwork	0.264
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w11
RMSD bond length	0.010
RMSD bond angle	1.310
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.600
High resolution limit [Å]	3.500	3.500
Rmerge	0.214	14.800
Number of reflections	20361
<I/σ(I)>	12.1	0.17
Completeness [%]	98.8	96.8
Redundancy	38.7	32.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.9-1.1M TRI-SODIUM CITRATE, 0.1M IMIDAZOLE-HCL, 0.02% SODIUM AZIDE, PH 8.0 , VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.9-1.1M TRI-SODIUM CITRATE, 0.1M IMIDAZOLE-HCL, 0.02% SODIUM AZIDE, PH 8.0 , VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.9-1.1M TRI-SODIUM CITRATE, 0.1M IMIDAZOLE-HCL, 0.02% SODIUM AZIDE, PH 8.0 , VAPOR DIFFUSION, HANGING DROP, temperature 293K