6VES

Human insulin analog: [GluB10,HisA8,ArgA9]-DOI

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	PIXEL
Collection date	2017-08-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	27.059, 28.992, 46.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.667 - 1.850
R-factor	0.1997
Rwork	0.195
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Editted version of human insulin component of PDB entry 4OGA
RMSD bond length	0.004
RMSD bond angle	0.603
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX ((1.13-2998_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.940	1.910
High resolution limit [Å]	1.850	1.850
Rmerge	0.147	2.365
Rmeas	0.162	2.588
Rpim	0.066	1.014
Number of reflections	3456	290
<I/σ(I)>	7.4	0.9
Completeness [%]	100.0	100
Redundancy	6	6.2
CC(1/2)	0.995	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	WELL CONDITION: 0.2 M calcium acetate, 0.1 M imidazole (pH 8) + 10% w/v PEG 8000 Protein was provided as a sample comprising 5 mg/ml (IR310.T).Fv83-7 in 10mM HEPES-NaOH (pH7.5) + 0.02% NaN3 plus three mol equivalents of the IR-A alphaCT peptide 704-719 plus 1.8 mol of the analog