Quality Control

This is an attempt of putting together a number of datasets with different characteristics (high and low resolution, good and bad crystals, untwinned and twinned), their evaluation with different versions of XDS, and the determination of the quality of the resulting data using refinement and phasing. The goal of this project is to find generally optimal parameters for XDS data reduction, to monitor the progress of the program, and to discover bugs or regressions.

PulG (good 2-wavelength MAD data @ 2.8 A)

Raw data: ftp://turn5.biologie.uni-konstanz.de/pub/datasets/

Reference: Köhler, R., Schäfer, K., Müller, S., Vignon, G., Diederichs, K., Philippsen, A., Ringler, P., Pugsley, A.P., Engel, A., Welte, W. (2004) Structure and assembly of the pseudopilin PulG. Molecular Microbiology 54, 647-664. doi:10.1111/j.1365-2958.2004.04307.x