9UTJ

Monoclinic crystal structure of acid-stable protracted insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	47.450, 61.856, 55.812
Unit cell angles	90.00, 112.47, 90.00

Refinement procedure

Resolution	19.810 - 1.950
R-factor	0.1923
Rwork	0.189
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.977
Data reduction software	HKL-2000
Data scaling software	autoPROC
Phasing software	AMoRE
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.810	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	25910	1766
<I/σ(I)>	11.78
Completeness [%]	96.0
Redundancy	2
CC(1/2)	0.996	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	200mM CaCl2 buffered in 100mM Tris-HCl pH 8,5, 30% (v/v) 2-Methyl-2,4-pentanediol, 8% (w/v) PEG 8000