4EYP

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	H 3
Unit cell lengths	82.150, 82.150, 33.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.070 - 1.591
R-factor	0.1453
Rwork	0.141
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.559
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]	41.075	21.014	1.680
High resolution limit [Å]	1.591	5.030	1.591
Rmerge		0.052	0.122
Total number of observations		1150	4639
Number of reflections	10133
<I/σ(I)>	13.3	10.6	4.6
Completeness [%]	89.1	92.8	100
Redundancy	3.2	3.4	2.7

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 (Insunorm R, lot # I 550005), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K