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| Crystal Structure of human zinc insulin at pH 5.5 |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.1 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | H 3 | a: 81.760 Å | b: 81.760 Å | c: 33.738 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
| Resolution | 1.70 Å | Reflections | 8619 | Test set | 0 (0.0%) | ||
| R | 0.1549 | R-free | 0.2133 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.70 Å | Reflections | 8619 | Test set |
905 (10.5%)
New test set, PDB-REDO compensated for this
|
||
| Twin | false | Radiation damage |
99
Data shows severe radiation damage
|
||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1466 | 0.1654 |
| R-free |
0.1743
R-free was considered biased, the
estimated unbiased R-free was used
|
0.2032 |
| Bond length RMS Z-score | 1.535 | 0.687 |
| Bond angle RMS Z-score | 1.086 | 0.798 |
| Model quality | ||
| Ramachandran plot normality | -1.982 31 | -0.280 76 |
| Rotamer normality | -1.666 58 | -1.622 59 |
| Coarse packing | 0.061 52 | 0.186 58 |
| Fine packing | -2.293 8 | -2.421 6 |
| Bump severity | 0.005 72 | 0.009 59 |
| Hydrogen bond satisfaction | 0.844 12 | 0.851 14 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 5 |
| Side chains built | 0 |
| Waters removed | 10 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |