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human butyrylcholinesterase in complex with a tacrine- methylanacardate hybrid inhibitor |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | I 4 2 2 | a: 154.400 Å | b: 154.400 Å | c: 128.270 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.40 Å | Reflections | 30502 | Test set | 1068 (3.5%) | ||
R | 0.2031 | R-free | 0.2471 | ||||
According to PDB-REDO | |||||||
Resolution | 2.40 Å | Reflections | 30502 | Test set | 1068 (3.5%) | ||
Twin | false | Radiation damage | N/A | ||||
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 | 0.2356 | 0.2285 |
R-free | 0.2939 | 0.2821 |
Bond length RMS Z-score | 0.834 | 0.402 |
Bond angle RMS Z-score | 0.872 | 0.635 |
Model quality | ||
Ramachandran plot normality | -3.481 13 | -3.287 14 |
Rotamer normality | -4.400 14 | -3.300 28 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 11 |
Side chains flipped | 0 |
Waters removed | 48 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 18 |
Residues fitting density worse | 3 |