8ONR

Crystal structure of human insulin trans-HypB26-DTI analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.91188
Spacegroup name	I 4 2 2
Unit cell lengths	57.970, 57.970, 55.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.210 - 1.880
R-factor	0.26016
Rwork	0.257
R-free	0.31184
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.472
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]	40.210	1.930
High resolution limit [Å]	1.880	1.880
Rmerge	0.097
Rpim	0.027	0.646
Number of reflections	4082	285
<I/σ(I)>	15.8	1.2
Completeness [%]	99.5	99.2
Redundancy	15.2
CC(1/2)	0.991	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	292	0.3M Na2SO4 0.3M Tris pH 8.2 0.6mM ZnAc 0.06% Phenol