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Crystal Structure of MERS-CoV S1 N-terminal Domain |
This entry was created with PDB-REDO version 7.34. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 49.800 Å | b: 84.370 Å | c: 108.000 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.00 Å | Reflections | 31254 | Test set | 1564 (5.0%) | ||
R | 0.1910 | R-free | 0.2220 | ||||
According to PDB-REDO | |||||||
Resolution | 2.00 Å | Reflections | 31254 | Test set | 1564 (5.0%) | Twin | false |
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 | 0.2009 | 0.2044 |
R-free | 0.2290 | 0.2403 |
Bond length RMS Z-score | 0.250 | 0.553 |
Bond angle RMS Z-score | 0.576 | 0.795 |
Model quality | ||
Ramachandran plot normality | -1.887 32 | -1.692 36 |
Rotamer normality | -1.098 76 | -1.961 59 |
Coarse packing | -0.808 23 | -0.846 21 |
Fine packing | -2.618 4 | -2.514 5 |
Bump severity | 0.960 0 | 0.951 0 |
Hydrogen bond satisfaction | 0.905 57 | 0.920 77 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 3 |
Side chains flipped | 1 |
Waters removed | 8 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |