5URU

Insulin with proline analog DhP 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	2016-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	H 3
Unit cell lengths	79.259, 79.259, 79.874
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.060 - 2.410
R-factor	0.1902
Rwork	0.187
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ev6
RMSD bond length	0.022
RMSD bond angle	2.035
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.060	34.520	1.710
High resolution limit [Å]	1.680	9.020	1.680
Rmerge	0.087	0.043	1.260
Rmeas	0.097	0.047	1.782
Rpim	0.042	0.020	1.260
Total number of observations	82670	798	54
Number of reflections	18094
<I/σ(I)>	5.4	22.4
Completeness [%]	84.1	98.3	4.5
Redundancy	4.6	5.8	1.1
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	300mM Tris pH 8, 17mM Zinc Acetate, 1% Phenol, 313mM Sodium Citrate, 11.25% Acetone