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| PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10132a |
| This entry was created with PDB-REDO version 8.07 using the deposited PDB model version 1.3 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 55.530 Å | b: 56.680 Å | c: 56.680 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 1.67 Å | Reflections | 37977 | Test set | 1855 (4.9%) | ||
| R | 0.1820 | R-free | 0.2089 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.67 Å | Reflections | 37977 | Test set | 1855 (4.9%) | ||
| Twin | false | Radiation damage | 28 | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1858 | 0.1726 |
| R-free | 0.2091 | 0.2007 |
| Bond length RMS Z-score | 0.573 | 0.784 |
| Bond angle RMS Z-score | 0.649 | 0.791 |
| Model quality | ||
| Ramachandran plot normality | 0.869 94 | 1.067 95 |
| Rotamer normality | -1.145 69 | 0.149 91 |
| Coarse packing | 1.618 94 | 2.072 97 |
| Fine packing | -0.291 77 | 0.502 91 |
| Bump severity | 0.207 5 | 0.011 54 |
| Hydrogen bond satisfaction | 0.912 66 | 0.925 82 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 5 |
| Side chains built | 13 |
| Waters removed | 18 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 10 |
| Residues fitting density worse | 0 |