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CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370 |
This entry was created with PDB-REDO version 8.08. |
From original header | |||||||
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Spacegroup | I 2 2 2 | a: 75.890 Å | b: 84.830 Å | c: 123.080 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.80 Å | Reflections | 32138 | Test set | 1675 (5.2%) | ||
R | 0.1950 | R-free | 0.2580 | ||||
According to PDB-REDO | |||||||
Resolution | 1.80 Å | Reflections | 32138 | Test set | 1675 (5.2%) | ||
Twin | false | Radiation damage | 15 | ||||
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 | 0.2408 | 0.1784 |
R-free | 0.2776 | 0.2089 |
Bond length RMS Z-score | 1.193 | 0.545 |
Bond angle RMS Z-score | 1.059 | 0.704 |
Model quality | ||
Ramachandran plot normality | -2.139 29 | -0.756 62 |
Rotamer normality | -3.317 27 | -1.408 63 |
Coarse packing | 0.701 77 | 0.758 79 |
Fine packing | -1.646 26 | -1.378 37 |
Bump severity | 0.019 39 | 0.036 23 |
Hydrogen bond satisfaction | 0.869 21 | 0.905 57 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 15 |
Side chains flipped | 0 |
Waters removed | 70 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 104 |
Residues fitting density worse | 0 |