4F1A

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	2009-09-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	H 3
Unit cell lengths	81.520, 81.520, 33.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.390 - 1.800
R-factor	0.1693
Rwork	0.166
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.956
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.760	24.390	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.044	0.166
Total number of observations		678	2879
Number of reflections	7751
<I/σ(I)>	12.6	8.1	4.5
Completeness [%]	99.9	98.3	100
Redundancy	2.7	2.8	2.6

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