4EWW

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Spacegroup name	H 3
Unit cell lengths	80.910, 80.910, 33.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.450 - 2.300
R-factor	0.2086
Rwork	0.201
R-free	0.28750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.655
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.455	20.227	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.031	0.170
Total number of observations		331	1590
Number of reflections	3608
<I/σ(I)>	9.4	19.7	4.4
Completeness [%]	99.8	94.5	100
Redundancy	3	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000, cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K