Content:
Introduction
Here we want to show some simple examples that exercise a typical set of our software (autoPROC, STARANISO, BUSTER, Grade2, RhoFit and Pipedream). It is assumed that you have the latest versions of our software installed and configured correctly.
Additional information:
- Most of our programs provide up-to-date online help when run with the -h flag (e.g. process -h, grade2 -h, refine -h, rhofit -h, pipedream-h etc).
- The autoPROC and BUSTER wiki provide FAQs, examples, pointers to documentation etc. Especially the "known issues" pages are always kept up-to-date.
- Dong, J., Zhao, H., Zhou, T., Spiliotopoulos, D., Rajendran, C., Li, X.D., Huang, D. and Caflisch, A., 2015. Structural analysis of the binding of type I, I1/2, and II inhibitors to Eph tyrosine kinases. ACS medicinal chemistry letters, 6(1), pp.79-83.
- Raw diffraction data
- Subject of investigation
- Several localised conformational changes compared to starting/APO model: step-by-step tutorial
- Tempel, W., Harding, R.J., Mader, P., Dobrovetsky, E., Walker, J.R., Brown, P.J., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Santhakumar, S., Structural Genomics Consortium (SGC). SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy. Unpublished.
- Raw diffraction data
- Subject of investigation
- Some problematic image ranges, possible errors in metadata: step-by-step tutorial
- Tempel, W., Harding, R.J., Mader, P., Dobrovetsky, E., Walker, J.R., Brown, P.J., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Santhakumar, S., Structural Genomics Consortium (SGC). SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy. Unpublished.
- Raw diffraction data
- Subject of investigation
- Some unmodelled protein residues in starting/APO model plus specific radiation-damage on ligand, possible errors in metadata: step-by-step tutorial
(work-in-progress)
- Eichenberger, M., Schwander, T., Hüppi, S., Kreuzer, J., Mittl, P.R., Peccati, F., Jiménez-Osés, G., Naesby, M. and Buller, R.M., 2023. The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis. Nature Catalysis, 6(10), pp.927-938.
- Raw diffraction data
- Subject of investigation
- High resolution data: step-by-step tutorial
