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| CRYSTAL STRUCTURE OF THE PROPROTEIN CONVERTASE FURIN |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 2.1 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 1 | a: 93.305Å b: 135.392Å c: 137.806Å | α: 103.56° β: 98.98° γ: 107.09° | ||
| Resolution | 2.60 Å | Reflections | 182726 | Test set | 0 (0.0%) |
| R | 0.1880 | R-free | 0.2190 | ||
| According to PDB-REDO | |||||
| Resolution | 2.60 Å | Reflections | 182726 | Test set |
9171 (5.0%)
New test set, PDB-REDO compensated for this
|
| Twin | false | Radiation damage | 82 | ||
| PDB-REDO files | |||||
| Re-refined and rebuilt structure |
Re-refined (only) structure
|
All files
(compressed) |
|||
| Links | |||||
| PDBe | RCSB PDB | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1919 | 0.1625 |
| R-free |
0.2305
R-free was considered biased, the
estimated unbiased R-free was used
|
0.1899 |
| Bond length RMS Z-score | 0.766 | 0.520 |
| Bond angle RMS Z-score | 0.785 | 0.625 |
| Model quality | ||
| Ramachandran plot normality | -1.831 34 | -0.649 65 |
| Rotamer normality | -1.981 51 | -0.895 74 |
| Coarse packing | 0.188 58 | 0.226 59 |
| Fine packing | -1.387 37 | -1.253 42 |
| Bump severity | 0.154 7 | 0.141 7 |
| Hydrogen bond satisfaction | 0.852 14 | 0.852 14 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 72 |
| Side chains built | 0 |
| Waters removed | 73 |
| Peptides flipped | 1 |
| Chiralities fixed | 0 |
| Residues fitting density better | 76 |
| Residues fitting density worse | 1 |