8ONP

Human insulin trans-HypB26-DTIA analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97933
Spacegroup name	I 4 2 2
Unit cell lengths	58.460, 58.460, 56.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.180 - 1.770
R-factor	0.24002
Rwork	0.238
R-free	0.27054
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.816
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.180	1.820
High resolution limit [Å]	1.770	1.770
Rmerge	0.094
Rmeas	0.097
Rpim	0.026	0.644
Number of reflections	4987	359
<I/σ(I)>	15.1	1.4
Completeness [%]	99.4	99.7
Redundancy	15.8
CC(1/2)	0.997	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.1 M Na2SO4