4F0N

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-12-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	H 3
Unit cell lengths	82.170, 82.170, 33.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.080 - 1.679
R-factor	0.2162
Rwork	0.214
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.505
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.085	24.479	1.760
High resolution limit [Å]	1.679	5.280	1.679
Rmerge		0.038	0.344
Total number of observations		1842	6267
Number of reflections	9605
<I/σ(I)>	12.9	12.6	2.1
Completeness [%]	97.4	99.3	86.1
Redundancy	5.6	5.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	2 uL 0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000 + 2 uL 100 U/mL human insulin (Novolin R, lot # XS60393), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K