4EX0

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]	293
Detector technology	CCD
Detector	MAR CCD 165 mm
Spacegroup name	H 3
Unit cell lengths	80.810, 80.810, 33.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.700 - 1.860
R-factor	0.1717
Rwork	0.167
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.834
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]	40.405	20.705	1.960
High resolution limit [Å]	1.860	5.880	1.860
Rmerge		0.029	0.222
Total number of observations		610	2764
Number of reflections	6813
<I/σ(I)>	14.6	19.7	1.6
Completeness [%]	99.9	97.6	100
Redundancy	2.8	2.9	2.7

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