• Issue

    Acta Crystallographica Section D: Volume 78, Issue 7

    806-926
    July 2022

research papers

Open Access

Sequence-assignment validation in cryo-EM models with checkMySequence

  • Pages: 806-816
  • First Published: 07 June 2022
Sequence-assignment validation in cryo-EM models with checkMySequence

A new method, checkMySequence, for the fast and automated detection of register errors in protein models built into cryo-EM reconstructions is presented.

Open Access

High-resolution structure determination using high-throughput electron cryo-tomography

  • Pages: 817-824
  • First Published: 07 June 2022
High-resolution structure determination using high-throughput electron cryo-tomography

In this article, it is shown that high-throughput strategies for tomographic data acquisition combined with unsupervised techniques for image analysis provide the foundation for closing the resolution gap between the high-resolution strategies used to study molecular assemblies reconstituted in vitro and techniques for in situ structure determination.

Crystal structures of the molecular class A β-lactamase TEM-171 and its complexes with tazobactam

  • Pages: 825-834
  • First Published: 07 June 2022
Crystal structures of the molecular class A β-lactamase TEM-171 and its complexes with tazobactam

Crystal structures of TEM-171 and its complexes with tazobactam reveal a novel structural intermediate in the enzyme-inhibition process.

Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity

  • Pages: 835-845
  • First Published: 07 June 2022
Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity

Crystal structures of apo and trehalose-bound forms of LpqY from Mycobacterium tuberculosis are presented at 2.2 and 1.9 Å resolution, respectively. The structural analysis, together with in silico and binding-affinity analyses, show the specificity and stereoselectivity of Mtb-LpqY for trehalose over maltose.

Kinetic and structural studies of the reaction of Escherichia coli dihydrodipicolinate synthase with (S)-2-bromopropionate

  • Pages: 846-852
  • First Published: 14 June 2022
Kinetic and structural studies of the reaction of Escherichia coli dihydrodipicolinate synthase with (S)-2-bromopropionate

The crystal structure of dihydrodipicolinate synthase modified with (S)-2-bromopropionate at Lys161 is reported.

Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily

  • Pages: 853-864
  • First Published: 14 June 2022
Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily

Structures of the yeast Sec14-like phosphatidylinositol transfer protein Sfh2 in complex with phosphatidylinositol and squalene reveal structural determinants for ligand recognition.

Open Access

Microsecond melting and revitrification of cryo samples: protein structure and beam-induced motion

  • Pages: 883-889
  • First Published: 14 June 2022
Microsecond melting and revitrification of cryo samples: protein structure and beam-induced motion

Microsecond melting and revitrification of cryo samples preserves the structure of embedded particles. The beam-induced motion of revitrified samples is comparable to that of conventional cryo samples.

AutoPX: a new software package to process X-ray diffraction data from biomacromolecular crystals

  • Pages: 890-902
  • First Published: 27 June 2022
AutoPX: a new software package to process X-ray diffraction data from biomacromolecular crystals

A new software package, autoPX, for processing X-ray diffraction data from biomacromolecular crystals is introduced. It adopts several novel methods and provides adequate solutions to problems encountered at the SSRF beamlines.

Open Access

Development of CryoVR, a virtual reality training system for hands-on cryoEM operations

  • Pages: 903-910
  • First Published: 27 June 2022
Development of CryoVR, a virtual reality training system for hands-on cryoEM operations

This paper describes the design and assessment of CryoVR, a virtual reality-based training system for cryoEM devices. CryoVR provides a unique learning opportunity by giving users experience of cryoEM experimental procedures through a safe and accessible virtual environment.

Open Access

Structural and biophysical studies of new l-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase

  • Pages: 911-926
  • First Published: 28 June 2022
Structural and biophysical studies of new l-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase

Random mutagenesis at designated sites of the l-asparaginase EcAIII was combined with crystal structure analysis and AlphaFold2 predictions to dissect the enzyme-maturation and catalytic processes.