5CNY

Crystal Structure of human zinc insulin at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-11
Detector	OXFORD TITAN CCD
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	81.760, 81.760, 33.738
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.630 - 1.700
R-factor	0.1577
Rwork	0.155
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.827
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.1.26)
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	13.630	13.630	1.730
High resolution limit [Å]	1.700	8.830	1.700
Rmerge	0.038	0.014	0.197
Rpim	0.028	0.010	0.197
Total number of observations	17037	88	666
Number of reflections	8205
<I/σ(I)>	11.7	40	2.6
Completeness [%]	93.1	54.8	99.4
Redundancy	2	2.4	1.3
CC(1/2)	0.971	0.999	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	2 mcL protein (6 mg/mL) + 2 mcL well (0.1 M Na2HPO4 pH 5.5, 10 % m/v PEG 6,000)