-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hello Giorgio,
most synchrotron beamlines should have a resolution limit beyond or near 1A resolution which is sufficient for solving the structure with direct methods. At least XDS has no problems with non-chiral space groups and can be used to process the data. Since with a small cell you are going to have only few spots per image, make sure you increase the DELPHI parameter to 30 or 60, as Kay Diederichs pointed out to me. XDS_ASCII.HKL can be read into xprep which, if you keep on hitting enter and provide it with the chemical composition when it asks you to, is going to prepare a shelxd input file that can be used to solving the structure with shelxd. Its output .res-file is the starting point for refining the structure with e.g. shelxl. So: yes, you can process the data with [sparkle ;-)] standard macromolecular software [/sparkle] Cheers, Tim On 02/08/2012 12:41 PM, Giorgio Giardina wrote: > Hello, > I have some interesting small molecule xtals. > I was wondering if it is possible to collect a small molecule data-set using > a sincrotron macromolecular xtallography beam line, maybe with a very low > beam intensity and moving the detector as close as possible? > Has anybody experienced that? > And if I get the images back home, can I process them using standard > macromolecular software or do I need ab-initio special programs? > Will MR work for phasing? > > Thanks in advance, > Giorgio > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFPMmgSUxlJ7aRr7hoRAtb7AKDhMgf+ImXfp/qR4WwR/AhCM1Wj6ACgh93K jpXsZgiGY9CfBHmMHd+L928= =dW6B -----END PGP SIGNATURE-----
