4EWZ

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Detector technology	CCD
Detector	MAR CCD 165 mm
Spacegroup name	H 3
Unit cell lengths	80.660, 80.660, 33.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.670 - 1.791
R-factor	0.2122
Rwork	0.208
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.876
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.330	20.672	1.890
High resolution limit [Å]	1.791	5.660	1.791
Rmerge		0.044	0.346
Total number of observations		730	3220
Number of reflections	7584
<I/σ(I)>	7.4	14.5	1.7
Completeness [%]	99.9	97	99.9
Redundancy	3	3.1	2.9

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 (Betalin H, lot # 310996-1), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K