8PI5

Crystal structure of human insulin desB30 precursor with an Alanine-Methionine-Lysine C-peptide in hexamer (T3R3) conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-01-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	H 3
Unit cell lengths	79.353, 79.353, 39.185
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.660 - 1.660
R-factor	0.1549
Rwork	0.154
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.874
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.660	1.720
High resolution limit [Å]	1.660	1.660
Rmerge	0.047	0.312
Rmeas	0.051	0.375
Rpim	0.020	0.203
Number of reflections	10563	829
<I/σ(I)>	25.54	3.58
Completeness [%]	97.2	76.19
Redundancy	6.1	2.5
CC(1/2)	0.999	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	6 mg/ml protein, 20 mM resorcinol, 0.5 Zn2+ (from zinc acetate) per insuln monomer in water, pH 7.95 precipitant: 0.1 M Bicine, pH 9.0, 2 % (v/v) 1,4-dioxane, 10 % (w/v) PEG 20000