4F51

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458600
Spacegroup name	H 3
Unit cell lengths	81.990, 81.990, 33.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.668 - 1.637
R-factor	0.1547
Rwork	0.152
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.684
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.668	23.668	1.730
High resolution limit [Å]	1.637	5.180	1.637
Rmerge	0.069	0.052	0.157
Total number of observations		1268	4538
Number of reflections	10283
<I/σ(I)>	14.3	10.9	3
Completeness [%]	98.7	97.9	97.2
Redundancy	3.6	3.9	3.1

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 (Humulin R, lot # A 505073), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K