 |
 |
Top 20 HETNAM entries based on 58,469 PDB entries at better than 2.5 Angstrom resolution (arbitrary cut): Number of entries in histogram: 14864 Total number of instances : 195481 0 14502 0.0742 GOL (glycerol) 1 10952 0.0560 SO4 2 8064 0.0413 ZN 3 7628 0.0390 MG 4 6930 0.0355 MSE (SeMet) 5 6685 0.0342 CA 6 6555 0.0335 EDO (Ethylene glycol) 7 6315 0.0323 CL 8 5856 0.0300 HEM 9 3922 0.0201 NA 10 3647 0.0187 NAG 11 3148 0.0161 PO4 12 2360 0.0121 ACT (Acetate) 13 1874 0.0096 MN 14 1561 0.0080 NAP 15 1387 0.0071 K 16 1338 0.0068 FAD 17 1277 0.0065 PLP (PYRIDOXAL-5'-PHOSPHATE) 18 1228 0.0063 TRS (Tris buffer) 19 1205 0.0062 FMN (numeric columns are ranking; count; frequency) No electron density, sorry. Clearly I should be adding more glycerols. Phil Jeffrey Princeton From: CCP4 bulletin board [[log in to unmask]] on behalf of ΛοΗμΟι [[log in to unmask]] Sent: Tuesday, May 21, 2013 3:29 PM To: [log in to unmask] Subject: [ccp4bb] list/library of most commonly co-crystallized ligands/solvents and/or their electron density shapes hi all, Sorry if this has been asked before. I wonder if there is an list or library of most commonly co-crystallized ligands(or solvent molecules) available? Better if the electron density maps of the ligands are also shown with different resolutions. That could help a lot for an inexperienced crystallographer (like me) to quickly identify extra electron densities in a new structure, by simply comparing the electron density shapes. I remember a few days ago somebody asked about a PEG electron density, which looks like a string of beads. If I knew that earlier, I could have modeled it in, instead of waters... Thanks, Jeremy