4EXX

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	80.840, 80.840, 33.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.470 - 1.550
R-factor	0.1761
Rwork	0.172
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.935
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]	70.009	15.474	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge		0.050	0.233
Total number of observations		1064	4752
Number of reflections	10639
<I/σ(I)>	8.9	11.2	2.7
Completeness [%]	30.2	32.5	33.2
Redundancy	2.9	2.9	2.8

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 (Insunorm R, lot # I 550005), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K