4F8F

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	H 3
Unit cell lengths	82.120, 82.120, 33.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.060 - 1.676
R-factor	0.1688
Rwork	0.167
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.176
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.060	30.528	1.760
High resolution limit [Å]	1.676	5.280	1.676
Rmerge		0.056	0.224
Total number of observations		1916	6810
Number of reflections	9692
<I/σ(I)>	17.6	7.7	3.3
Completeness [%]	98.1	99.6	87.3
Redundancy	5.9	6.1	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	2 uL 0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000 + 2 uL 100 U/mL human insulin (Humulin R, lot # A 405936), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K