[PDF][PDF] Radiation damage in macromolecular crystallography: what is it and why should we care?

EF Garman - Acta Crystallographica Section D: Biological …, 2010 - journals.iucr.org
Radiation damage inflicted during diffraction data collection in macromolecular
crystallography has re-emerged in the last decade as a major experimental and …

Absorbed dose calculations for macromolecular crystals: improvements to RADDOSE

KS Paithankar, RL Owen, EF Garman - Journal of synchrotron …, 2009 - scripts.iucr.org
Radiation damage is an unwelcome and unavoidable aspect of macromolecular
crystallography. In order to quantify the extent of X-ray-induced changes, knowledge of the …

[PDF][PDF] Diffraction data analysis in the presence of radiation damage

D Borek, M Cymborowski, M Machius… - … Section D: Biological …, 2010 - journals.iucr.org
In macromolecular crystallography, the acquisition of a complete set of diffraction intensities
typically involves a high cumulative dose of X-ray radiation. In the process of data …

[PDF][PDF] A decade of user operation on the macromolecular crystallography MAD beamline ID14-4 at the ESRF

AA McCarthy, S Brockhauser, D Nurizzo… - Journal of …, 2009 - journals.iucr.org
ID14-4 at the ESRF is the first tunable undulator-based macromolecular crystallography
beamline that can celebrate a decade of user service. During this time ID14-4 has not only …

Identification of patterns in diffraction intensities affected by radiation exposure

D Borek, Z Dauter, Z Otwinowski - Journal of synchrotron radiation, 2013 - journals.iucr.org
In an X-ray diffraction experiment, the structure of molecules and the crystal lattice changes
owing to chemical reactions and physical processes induced by the absorption of X-ray …

High‐confidence placement of low‐occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms

S Ma, S Damfo, MW Bowler, V Mykhaylyk… - … Section D: Structural …, 2024 - journals.iucr.org
Anomalous difference Fourier maps derived from the diffraction data collected at both
standard and long-wavelength X-rays were compared. The discrepancies observed in the …

Real-space analysis of radiation-induced specific changes with independent component analysis

D Borek, R Bromberg, J Hattne… - Journal of Synchrotron …, 2018 - journals.iucr.org
A method of analysis is presented that allows for the separation of specific radiation-induced
changes into distinct components in real space. The method relies on independent …

Single isomorphous replacement phasing of selenomethionine-containing proteins using UV-induced radiation damage

S Panjikar, H Mayerhofer, PA Tucker… - … Section D: Biological …, 2011 - journals.iucr.org
The most commonly used heavy-atom derivative, selenium, requires the use of a tunable
beamline to access the Se K edge for experimental phasing using anomalous diffraction …

Everything Happens at Once–Deconvolving Systematic Effects in X-ray Data Processing

D Borek, Z Otwinowski - Advancing Methods for Biomolecular …, 2013 - Springer
Diffraction intensities measurements are influenced by random errors and complex patterns
of systematic effects. The systematic effects can be physically modeled if their sources are …