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| CRYSTAL STRUCTURE OF HUMAN TRYPSIN 1: UNEXPECTED PHOSPHORYLATION OF TYROSINE 151 |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.3 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 4 | a: 107.120 Å | b: 107.120 Å | c: 39.920 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.20 Å | Reflections | 22828 | Test set | 0 (0.0%) | ||
| R | 0.1770 | R-free | N/A | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.19 Å | Reflections | 22828 | Test set |
1175 (5.1%)
New test set, PDB-REDO compensated for this
|
||
| Twin | false | Radiation damage | 86 | ||||
| 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 | 0.1773 | 0.1460 |
| R-free |
0.2127
R-free was considered biased, the
estimated unbiased R-free was used
|
0.1866 |
| Bond length RMS Z-score | 0.748 | 0.270 |
| Bond angle RMS Z-score | 0.751 | 0.506 |
| Model quality | ||
| Ramachandran plot normality | -1.826 35 | -0.368 73 |
| Rotamer normality | -3.238 29 | -0.318 85 |
| Coarse packing | 1.137 88 | 1.105 87 |
| Fine packing | 3.746 100 | 4.303 100 |
| Bump severity | 0.013 49 | 0.005 72 |
| Hydrogen bond satisfaction | 0.859 17 | 0.877 26 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 13 |
| Side chains built | 0 |
| Waters removed | 94 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 8 |
| Residues fitting density worse | 0 |