5UDP

High resolution x-ray crystal structure of synthetic insulin lispro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-11
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	46.644, 61.470, 59.148
Unit cell angles	90.00, 110.60, 90.00

Refinement procedure

Resolution	25.718 - 1.348
R-factor	0.1613
Rwork	0.160
R-free	0.19430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zs2
RMSD bond length	0.005
RMSD bond angle	0.765
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_2283)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.370
High resolution limit [Å]	1.348	3.660	1.348
Rmerge	0.068	0.073	0.777
Number of reflections	67860
<I/σ(I)>	6.5
Completeness [%]	98.3	98.1	90
Redundancy	6.2	6.6	3.5
CC(1/2)		0.993	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	292	0.3 M TRIS, 0.5 M sodium sulfate, 0.6 mM Zinc acetate, 0.06% phenol