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3ins
From Proteopedia
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[[Image:3ins.gif|left|200px]] | [[Image:3ins.gif|left|200px]] | ||
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'''STRUCTURE OF INSULIN. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT''' | '''STRUCTURE OF INSULIN. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT''' | ||
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[[Category: Savage, H.]] | [[Category: Savage, H.]] | ||
[[Category: Wlodawer, A.]] | [[Category: Wlodawer, A.]] | ||
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| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:04:50 2008'' | |
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Revision as of 19:04, 4 May 2008
STRUCTURE OF INSULIN. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT
Overview
Neutron diffraction data for porcine 2Zn insulin were collected to 2.2 A resolution from a single crystal deuterated by slow exchange of mother liquor. A joint neutron/X-ray restrained-least-squares refinement was undertaken using the neutron data, as well as the 1.5 A resolution X-ray data collected previously. The final R factors were 0.182 for the X-ray data and 0.191 for the neutron data. Resulting atomic coordinates were compared with the initial X-ray model, showing a total r.m.s. shift of 0.36 A for the protein and 0.6 A for the solvent. Protonation of a number of individual amino acids was investigated by analysis of the neutron maps. No D atoms were found between the carboxylates of Glu B13 which make an intermolecular contact, suggesting nonbonded interaction rather than the predicted hydrogen bond. Amide hydrogen exchange was investigated in a refinement of their atomic occupancies. Regions of unexchanged amide groups were found in the center of the B helices. The results of this study emphasize the limited amount of information available in neutron diffraction studies of proteins at resolution lower than 2 A.
About this Structure
3INS is a Protein complex structure of sequences from Sus scrofa. Full crystallographic information is available from OCA.
Reference
Structure of insulin: results of joint neutron and X-ray refinement., Wlodawer A, Savage H, Dodson G, Acta Crystallogr B. 1989 Feb 1;45 ( Pt 1):99-107. PMID:2695122 Page seeded by OCA on Sun May 4 22:04:50 2008
