4F1C

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
Collection date	2010-09-22
Detector	MAR CCD 165 mm
Wavelength(s)	1.43000
Spacegroup name	H 3
Unit cell lengths	80.860, 80.860, 33.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.430 - 1.700
R-factor	0.1564
Rwork	0.153
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.592
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.430	16.777	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.033	0.199
Total number of observations		895	3493
Number of reflections	7827
<I/σ(I)>	12.7	18.4	3.4
Completeness [%]	87.6	96.8	89.5
Redundancy	3.1	3.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	2 uL 0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000 + 2 uL 100 U/mL human insulin (Novolin R, lot # TS 62987), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K