9UTK

Monoclinic crystal structure of acid-stable protracted insulin (293 K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-03-09
Detector	PSI JUNGFRAU 4M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	47.730, 62.220, 56.390
Unit cell angles	90.00, 111.87, 90.00

Refinement procedure

Resolution	19.560 - 2.380
R-factor	0.2533
Rwork	0.249
R-free	0.30240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.437
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.560	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	16759	1293
<I/σ(I)>	5.71
Completeness [%]	93.4
Redundancy	2
CC(1/2)	0.825	0.559

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