3U4N

A novel covalently linked insulin dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-03-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 21 3
Unit cell lengths	77.942, 77.942, 77.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.820 - 1.980
R-factor	0.16954
Rwork	0.167
R-free	0.21742
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	2.417
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.067	0.258
Number of reflections	5631
<I/σ(I)>		2.6
Completeness [%]	99.3	85
Redundancy		1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M Bis-Tris pH 6.5, 3.0 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 291K