Accurate model annotation of a near-atomic resolution cryo-EM map.

Abstract:

:Electron cryomicroscopy (cryo-EM) has been used to determine the atomic coordinates (models) from density maps of biological assemblies. These models can be assessed by their overall fit to the experimental data and stereochemical information. However, these models do not annotate the actual density values of the atoms nor their positional uncertainty. Here, we introduce a computational procedure to derive an atomic model from a cryo-EM map with annotated metadata. The accuracy of such a model is validated by a faithful replication of the experimental cryo-EM map computed using the coordinates and associated metadata. The functional interpretation of any structural features in the model and its utilization for future studies can be made in the context of its measure of uncertainty. We applied this protocol to the 3.3-Å map of the mature P22 bacteriophage capsid, a large and complex macromolecular assembly. With this protocol, we identify and annotate previously undescribed molecular interactions between capsid subunits that are crucial to maintain stability in the absence of cementing proteins or cross-linking, as occur in other bacteriophages.

authors

Hryc CF,Chen DH,Afonine PV,Jakana J,Wang Z,Haase-Pettingell C,Jiang W,Adams PD,King JA,Schmid MF,Chiu W

doi

10.1073/pnas.1621152114

subject

Has Abstract

pub_date

2017-03-21 00:00:00

pages

3103-3108

issue

12

eissn

0027-8424

issn

1091-6490

pii

1621152114

journal_volume

114

pub_type

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