Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition

Neutron crystallographic studies of T4 lysozyme at cryogenic temperature

(2017) Le Li et al.   PROTEIN SCIENCE

Fifteen years of the Protein Crystallography Station: the coming of age of macromolecular neutron crystallography

(2017) Julian C.-H. Chen et al.   IUCrJ

Back-exchange of deuterium in neutron crystallography: characterization by IR spectroscopy

(2017) Ai Woon Yee et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Macromolecular structure phasing by neutron anomalous diffraction

(2016) Maxime G. Cuypers et al.   Scientific Reports

High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP–oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution

(2016) E. I. Howard et al.   IUCrJ

Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP γ-Phosphate

(2015) Ryan Knihtila et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The solvent component of macromolecular crystals

(2015) Christian X. Weichenberger et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Large-volume protein crystal growth for neutron macromolecular crystallography

(2015) Joseph D. Ng et al.   Acta Crystallographica Section F-Structural Biology Communications

Sub-atomic resolution X-ray crystallography and neutron crystallography: promise, challenges and potential

(2015) Matthew P. Blakeley et al.   IUCrJ

The Macromolecular Neutron Diffractometer MaNDi at the Spallation Neutron Source

(2015) Leighton Coates et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Neutron cryo-crystallography captures the protonation state of ferryl heme in a peroxidase

(2014) C. M. Casadei et al.   SCIENCE

Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography

(2014) S. J. Fisher et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein

(2014) Melina Haupt et al.   IUCrJ

Cryogenic neutron protein crystallography: routine methods and potential benefits

(2014) Leighton Coates et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography

(2013) Flora Meilleur et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Neutron diffraction studies towards deciphering the protonation state of catalytic residues in the bacterial KDN9P phosphatase

(2013) Tyrel Bryan et al.   Acta Crystallographica Section F-Structural Biology and Crystallization Communications

Neutron and X-ray crystallographic analysis of the human α-thrombin–bivalirudin complex at pD 5.0: Protonation states and hydration structure of the enzyme–product complex

(2013) Taro Yamada et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design

(2013) Irene T. Weber et al.   JOURNAL OF MEDICINAL CHEMISTRY

Refinement of macromolecular structures against neutron data withSHELXL2013

(2013) Tim Gruene et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Near-Atomic Resolution Neutron Crystallography on PerdeuteratedPyrococcus furiosusRubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes

(2012) M. G. Cuypers et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

X-ray and neutron protein crystallographic analysis of the trypsin–BPTI complex

(2011) Kenji Kawamura et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface

(2011) Eduardo I. Howard et al.   JOURNAL OF MOLECULAR RECOGNITION

Bond lengths in organic and metal-organic compounds revisited: X—H bond lengths from neutron diffraction data

(2010) Frank H. Allen et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography

(2010) Anna S. Gardberg et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Joint X-ray and neutron refinement withphenix.refine

(2010) Pavel V. Afonine et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromolecules

(2009) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Automatic multiple-zone rigid-body refinement with a large convergence radius

(2009) Pavel V. Afonine et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Low-barrier hydrogen bond in photoactive yellow protein

(2009) S. Yamaguchi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Neutron crystallography: opportunities, challenges, and limitations

(2008) Matthew P Blakeley et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY