3SS2

Neutron structure of perdeuterated rubredoxin using 48 hours 3rd pass data

Summary for 3SS2

• Entry DOI: 10.2210/pdb3ss2/pdb
• Related: 3KYX 3RYG 3RZ6 3RZR 3RZT
• Descriptor: Rubredoxin, FE (III) ION (3 entities in total)
• Functional Keywords: iron, metal-binding, transport, electron transport
• Biological source: Pyrococcus furiosus DSM 3638
• Total number of polymer chains: 1
• Total formula weight: 6087.57

Authors

Munshi, P.,Chung, C.-L.,Blakeley, M.P.,Weiss, K.L.,Myles, D.A.A.,Meilleur, F. (deposition date: 2011-07-07, release date: 2011-12-28, Last modification date: 2023-09-13)

Primary citation

Munshi, P.,Chung, S.L.,Blakeley, M.P.,Weiss, K.L.,Myles, D.A.,Meilleur, F.
Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68:35-41, 2012

PubMed Abstract: Neutron crystallography is a powerful technique for experimental visualization of the positions of light atoms, including hydrogen and its isotope deuterium. In recent years, structural biologists have shown increasing interest in the technique as it uniquely complements X-ray crystallographic data by revealing the positions of D atoms in macromolecules. With this regained interest, access to macromolecular neutron crystallography beamlines is becoming a limiting step. In this report, it is shown that a rapid data-collection strategy can be a valuable alternative to longer data-collection times in appropriate cases. Comparison of perdeuterated rubredoxin structures refined against neutron data sets collected over hours and up to 5 d shows that rapid neutron data collection in just 14 h is sufficient to provide the positions of 269 D atoms without ambiguity.

PubMed: 22194331
DOI: 10.1107/S0907444911048402

Experimental method

NEUTRON DIFFRACTION (1.75 Å)