8RRP

Insulin Icodec - A14E B16H B25H B29Ne-C20 diacid-LgGlu-2xAdo desB30 human insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-28
Detector	MAR CCD 165 mm
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	54.793, 54.793, 138.355
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.670 - 2.000
R-factor	0.1825
Rwork	0.179
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.048
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.670	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.020	0.175
Rmeas	0.290	0.248
Rpim	0.020	0.175
Number of reflections	14970	1461
<I/σ(I)>	28.48	3.43
Completeness [%]	99.6	98.9
Redundancy	1.8	1.9
CC(1/2)	0.999	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.02 calcium chloride 30 % 2-methyl-2,4-pentanediol 0.1M acetate pH4.6