6OR0

Crystal structure of Insulin from Non-merohedrally twinned crystals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-25
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	I 21 3
Unit cell lengths	78.031, 78.031, 78.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.180 - 1.550
R-factor	0.166
Rwork	0.166
R-free	0.21500
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.990
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	SHELXDE
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.180	1.570
High resolution limit [Å]	1.550	1.550
Total number of observations	22188
Number of reflections	11668	459
<I/σ(I)>	62.79	2.23
Completeness [%]	98.4	70.8
Redundancy	1	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	293	0.2 M Na2HPO4/Na3PO4, pH 10.0 and 0.01 M Na EDTA