5MAM

Human insulin in complex with serotonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97631
Spacegroup name	H 3
Unit cell lengths	158.960, 158.960, 76.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.180 - 2.200
R-factor	0.20593
Rwork	0.202
R-free	0.28037
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.666
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.180	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.066	0.920
Number of reflections	36018
<I/σ(I)>	13.3	2.2
Completeness [%]	98.4	94.2
Redundancy	4.8	4.2
CC(1/2)	0.997	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Zn-free human insulin was dissolved in 20 mM HCl at 5 mg/mL. The well solution contained 5 mM ZnAcetate, 35 mM NaCitrate, 1.1 M NaCl, 0.3M Tris pH 7.5, 40 mM serotonin. Hanging drops were set up in 1:1 protein:well volume ratios.