5JYQ

Structure of Conus Geographus insulin G1

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	2015-12-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 4 3 2
Unit cell lengths	74.910, 74.910, 74.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.455 - 1.950
R-factor	0.2118
Rwork	0.211
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i3z
RMSD bond length	0.013
RMSD bond angle	1.392
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.455	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.368	2.670
Number of reflections	5645
<I/σ(I)>	6.46	0.9
Completeness [%]	99.0	95.8
Redundancy	8.9	8.2
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	2.0 M ammonium sulfate plus 10% DL-malate-MES-Tris (pH 9.0)