8PI6

Crystal structure of the monomeric zinc free human insulin A22K, B3E, B26E, B29R, desB30 precursor with a Ser-Glu-Asp-Trp-Trp-Arg C-peptide and a Glu-Glu-Gly-Glu-Pro-Arg N-terminal extension

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	2.075
Spacegroup name	P 21 21 21
Unit cell lengths	53.240, 60.020, 90.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.880 - 2.140
R-factor	0.243
Rwork	0.238
R-free	0.28780
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.520
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	HKL2Map
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.880	2.219
High resolution limit [Å]	2.140	2.140
Rmerge	0.172	2.496
Rmeas	0.173	2.562
Rpim	0.015	0.514
Number of reflections	14677	726
<I/σ(I)>	33.01	0.8
Completeness [%]	84.7	44.84
Redundancy	109.8	16.1
CC(1/2)	1.000	0.071

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	8 mg/ml protein in water precipitant: 0.1 M sodium citrate, pH 5.6, 1.o M ammonium phosphate monobasic