4EWX

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	293
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	H 3
Unit cell lengths	81.960, 81.960, 33.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.980 - 2.201
R-factor	0.1605
Rwork	0.154
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.225
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.980	20.490	2.320
High resolution limit [Å]	2.201	6.960	2.201
Rmerge		0.027	0.139
Total number of observations		393	1442
Number of reflections	3848
<I/σ(I)>	14.6	22.9	3.7
Completeness [%]	89.6	86.7	73.6
Redundancy	3.3	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000, cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K