4F1D

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]	100
Detector technology	CCD
Collection date	2010-10-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458600
Spacegroup name	H 3
Unit cell lengths	82.080, 82.080, 33.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.040 - 1.637
R-factor	0.1666
Rwork	0.164
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.007
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.040	24.474	1.730
High resolution limit [Å]	1.637	5.180	1.637
Rmerge	0.060	0.044	0.142
Total number of observations		1260	4336
Number of reflections	9283
<I/σ(I)>	15.7	13.6	4.1
Completeness [%]	88.9	97.3	94.4
Redundancy	3.6	3.9	3.1

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 (Humulin R, lot # A 505073), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K