5HRQ

Insulin with proline analog HzP at position B28 in the R6 state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	47.156, 60.680, 60.665
Unit cell angles	90.00, 110.82, 90.00

Refinement procedure

Resolution	56.700 - 1.280
R-factor	0.13672
Rwork	0.135
R-free	0.16843
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.259
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.700	35.660	1.300
High resolution limit [Å]	1.280	6.880	1.280
Rmerge	0.042	0.039	0.451
Rpim	0.028	0.026	0.359
Total number of observations	239532	1824	5692
Number of reflections	79335
<I/σ(I)>	13.6	33	2.1
Completeness [%]	96.0	99.1	62.1
Redundancy	3	3.3	2.2
CC(1/2)	0.997	0.989	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	300 mM Tris, 17 mM zinc acetate, 1% phenol, 7.5% acetone, 2.675 M sodium citrate