I took a look at both the PDB and CIF headers for the coordinates for 4C69 and they have normal looking numbers with three digits following the decimal point. According to the coordinate file header this entry was processed by PDBE. It would be interesting to hear from the PDBE staff if the structure factor file arrived with those numbers or if they were introduced during processing.
Frances ===================================================== **** Bernstein + Sons * * Information Systems Consultants **** 5 Brewster Lane, Bellport, NY 11713-2803 * * *** **** * Frances C. Bernstein * *** f...@bernstein-plus-sons.com *** * * *** 1-631-286-1339 FAX: 1-631-286-1999 ===================================================== On Tue, 22 Jul 2014, Bernhard Rupp wrote:
I am just morbidly curious what program(s) deliver/mutilate/divine these cell constants in recent cif files: data_r4c69sf # _audit.revision_id 1_0 _audit.creation_date ? _audit.update_record 'Initial release' # _cell.entry_id 4c69 _cell.length_a 100.152000427 _cell.length_b 58.3689994812 _cell.length_c 66.5449981689 _cell.angle_alpha 90.0 _cell.angle_beta 99.2519989014 _cell.angle_gamma 90.0 # Maybe a little plausibility check during cif generation might be ok Best, BR PS: btw, 10^-20 meters (10^5 time smaller than a proton) in fact seriously challenges the Standard Model limits?. ---------------------------------------------------------------------------------------- Bernhard Rupp k.-k. Hofkristallamt Crystallographiae Vindicis Militum Ordo b...@ruppweb.org b...@hofkristallamt.org http://www.ruppweb.org/ -----------------------------------------------------------------------