7JP3

Des-B29,B30-insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-08
Detector	Nonius Kappa CCD
Wavelength(s)	0.97924
Spacegroup name	C 1 2 1
Unit cell lengths	71.606, 60.001, 61.448
Unit cell angles	90.00, 95.17, 90.00

Refinement procedure

Resolution	37.800 - 1.950
R-factor	0.2155
Rwork	0.214
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xw7
RMSD bond length	0.009
RMSD bond angle	1.382
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.949	5.290	1.950
Rmerge	0.063	0.037	0.731
Rmeas	0.074	0.043	0.855
Rpim	0.038	0.023	0.440
Number of reflections	18729	979	913
<I/σ(I)>	8.7
Completeness [%]	98.8	99.2	98.3
Redundancy	3.8	3.6	3.7
CC(1/2)		0.997	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1:2.5 ratio of Zn2+ to protein monomer in 0.02M Tris-HCl, 0.05M sodium citrate, 5% acetone, 0.03% phenol, 0.01% zinc acetate, PH 8.0