| STRuster DPI |
The Diffraction-component precision index (DPI) was used to derive the estimates of atom coordinate uncertainty[1]. The data is available for download in standard text file compressed with gzip. The PDB release from 9 February 2007 was used.
| File format |
The lines includes the data for each entry in PDB. There are 21 items in each data line separated by commas, and included in brackets. These data lines can be easily parsed as Python tuples. The first line is an exception and describes the content of each item in the data lines. The items are described below, undefined values are set to None.
| Item | Description |
| pdbid | PDB identifier |
| date | Date the entry deposited in PDB |
| Bavg | Average temperature factor B |
| Ni | Number of atoms |
| npar | Number of parameters (npar = Ni * 4) |
| nobs | Number of reflections |
| cpl | Data completeness |
| R | R value |
| Rfree | Free R value |
| dmin | Resolution |
| DPIa | DPI based on R [1] |
| DPIf | DPI based on Rfree [1] |
| DPI | DPI value: DPIf if defined, else DPIa |
| luzzati_obs | mmCIF data item: _refine_analyze.Luzzati_coordinate_error_obs |
| luzzati_free | mmCIF data item: _refine_analyze.Luzzati_coordinate_error_free |
| luzzati | luzzati_free if defined, else luzzati_obs |
| sigma_a_obs | mmCIF data item: _refine_analyze.Luzzati_sigma_a_obs |
| sigma_a_free | mmCIF data item: _refine_analyze.Luzzati_sigma_a_free |
| sigma_a | sigma_a_free if defined, else sigma_a_obs |
| sigatm | True if atom coordinate standard uncertainty defined as in mmCIF data item: _atom_site.Cartn_x, else False |
| anisou | True if anisotropic displacements available as in mmCIF data item: atom_site_anisotrop, else False |
[1] Cruickshank D: Remarks about protein structure precision. Acta Crystallogr D Biol Crystallogr 1999, 55:583-601.