Kappa – from a users perspective ?

Standard today Most Labs/synchrotrons use single rotation axis for data collection Most Labs/synchrotrons use single rotation axis for data collection WHY IS THIS?

The persistence of a single rotation axis Historical – rotation method –Arndt Wonacott camera etc Historical – rotation method –Arndt Wonacott camera etc Cost, ease of implementation, simplicity Cost, ease of implementation, simplicity Implementation of control software Implementation of control software Commercially available products –heavily erred to single rotation axis solutions Commercially available products –heavily erred to single rotation axis solutions Multi-axes alternatives have been bulky and not easily incorporated into a standard PX setup Multi-axes alternatives have been bulky and not easily incorporated into a standard PX setup

The persistence of a single rotation axis Software for utilizing kappa – some say not readily accessible and easily incorporated? Software for utilizing kappa – some say not readily accessible and easily incorporated? - Or is this just a lack of will and man-power… - Jim Pflugrath D*Trek – in use at SBC since Bruker/Nonius have very successful system ?? “|Data collection on the Nonius KappaCCD is performed with the Nonius Collect software, an intuitive and user friendly GUI driven program suite, which provides smooth and directed transitions through the phases of indexing, data collection strategy, face indexing and crystal description etc.” Nonius Collect softwareNonius Collect software Commercially available systems from Nonius and Huber Commercially available systems from Nonius and Huber - still somewhat big and precision on the order of micron sphere of confusion No concerted effort from user community ?? No concerted effort from user community ??

Nonius kappa

Huber kappa

Use of Kappa Alignment of crystal Alignment of crystal -allows for intelligent and most efficient route to collection of a complete data set -allows measurement of Friedel mates at same time important for accurate measurement of very small anom. Differences - Completion of data from multiple crystals –a real problem today due to radiation damage from high intensity sources - Collection of diffraction data from around more than one rotation axis significantly improves scaling of data (we want to measure symmetry related measurements in as different a way as possible) -empirical absorption corrections – although less critical at shorter wavelengths has become critical for longer wavelength experiments that are utilizing the very small anomalous signal originating for naturally occurring sulphur atoms in proteins

Mini-Kappa Design compact kappa which will not compromise a standard PX sample /Detector environment Design compact kappa which will not compromise a standard PX sample /Detector environment High accuracy to match the current state of the art 3 rd generation synchrotron sources High accuracy to match the current state of the art 3 rd generation synchrotron sources Rosenbaum/Rock at APS produced a mini- kappa which met to some extent these needs Rosenbaum/Rock at APS produced a mini- kappa which met to some extent these needs Commercial minikappa from ADSC Commercial minikappa from ADSC

Rosenbaum/Rock Mini-Kappa

ADSC Mini-Kappa

EMBL/ESRF Micro-Kappa Tested very briefly on BM14 mainly to see that design was mechanically sound Tested very briefly on BM14 mainly to see that design was mechanically sound Performed a real-life S-SAD experiment Performed a real-life S-SAD experiment -360 degrees of data collected at  = degrees of data collected at  = max Apologies – structure solved but Apologies – structure solved but

S-SAD results USE of 90 degrees of  = 0 and  offset sufficient to give interpretable map (caveat Zn was bound!) USE of 90 degrees of  = 0 and  offset sufficient to give interpretable map (caveat Zn was bound!) Mean weight and estimated mapCC as a function of resolution d inf N Pseudo-free CC = %