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BT_4244 metallopeptidase in complex with Tn antigen. |
This entry was created with PDB-REDO version 8.03. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 87.450 Å | b: 88.230 Å | c: 98.650 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.30 Å | Reflections | 34533 | Test set | 1764 (5.1%) | ||
R | 0.1999 | R-free | 0.2420 | ||||
According to PDB-REDO | |||||||
Resolution | 2.30 Å | Reflections | 34533 | Test set | 1764 (5.1%) | ||
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 | 0.2000 | 0.1922 |
R-free | 0.2423 | 0.2209 |
Bond length RMS Z-score | 1.893 | 0.459 |
Bond angle RMS Z-score | 0.755 | 0.629 |
Model quality | ||
Ramachandran plot normality | -3.826 10 | -2.897 17 |
Rotamer normality | -2.906 41 | -2.189 54 |
Coarse packing | 0.225 73 | 0.419 80 |
Fine packing | -1.842 19 | -1.568 29 |
Bump severity | 0.015 47 | 0.019 41 |
Hydrogen bond satisfaction | 0.855 15 | 0.871 22 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 5 |
Waters removed | 20 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |