4FG3

Crystal Structure Analysis of the Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-02
Detector	OXFORD TITAN CCD
Wavelength(s)	1.54056
Spacegroup name	H 3
Unit cell lengths	81.559, 81.559, 33.538
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.780 - 2.001
R-factor	0.2014
Rwork	0.196
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.755
Data reduction software	CrysalisPro
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.780	13.019	2.110
High resolution limit [Å]	2.000	6.330	2.000
Rmerge		0.032	0.481
Total number of observations		222	1167
Number of reflections	5487
<I/σ(I)>	6.5	22.4	0.9
Completeness [%]	32.6	28.1	31.6
Redundancy	1.9	1.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	Hanging drop: 2 uL 0.1 M sodium phosphate, 10% w/v PEG 6K + 2 uL Human Insulin 100 U/mL (Humulin R, lot #A 405936). Cryo = mother liquor + 10% glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K