3T2A

TMAO-grown cubic insulin (porcine)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	298
Detector technology	CCD
Collection date	2010-08-03
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	I 21 3
Unit cell lengths	79.098, 79.098, 79.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.640 - 2.100
R-factor	0.17637
Rwork	0.174
R-free	0.22334
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.478
Data reduction software	CrysalisPro
Data scaling software	SCALA (3.3.16)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.644	18.644	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.096	0.417
Number of reflections	4954
<I/σ(I)>	9.2	4.4	1.8
Completeness [%]	99.9	96	100
Redundancy	6.8	7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	Protein: 10 mg/mL in 50 mM CAPS pH 11; Well: 1.2 M TMAO, 0.1 M malate, pH 5.5 , VAPOR DIFFUSION, SITTING DROP, temperature 298K