8PI4

Crystal structure of human insulin desB30 precursor with an Alanine-Methionine-Lysine C-peptide in dimer (T2) conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000
Spacegroup name	I 21 3
Unit cell lengths	77.400, 77.400, 77.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 1.250
R-factor	0.1733
Rwork	0.173
R-free	0.17550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.063
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.052	1.391
Rmeas	0.053	1.428
Rpim	0.012	0.320
Number of reflections	21467	2099
<I/σ(I)>	25.55	1.85
Completeness [%]	100.0	100
Redundancy	19.7	19.8
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2 M sodium acetate trihydrate, 0.1 M Tris, pH 8.5, 30 % (w/v) PEG 4000