This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide) |
This entry was created with PDB-REDO version 7.36. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | I 4 2 2 | a: 154.300 Å | b: 154.300 Å | c: 127.700 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.85 Å | Reflections | 65498 | Test set | 1310 (2.0%) | ||
R | 0.1880 | R-free | 0.2240 | ||||
According to PDB-REDO | |||||||
Resolution | 1.85 Å | Reflections | 65498 | Test set | 1310 (2.0%) | ||
Twin | false | Radiation damage | N/A | ||||
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 | 0.1991 | 0.1970 |
R-free | 0.2296 | 0.2300 |
Bond length RMS Z-score | 0.626 | 0.670 |
Bond angle RMS Z-score | 0.775 | 0.823 |
Model quality | ||
Ramachandran plot normality | -1.670 36 | -1.781 34 |
Rotamer normality | -2.474 49 | -1.872 60 |
Coarse packing | -0.723 26 | -0.739 25 |
Fine packing | -1.834 19 | -1.682 24 |
Bump severity | 0.798 1 | 0.170 6 |
Hydrogen bond satisfaction | 0.879 28 | 0.891 39 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 75 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 27 |
Residues fitting density worse | 0 |