Complex structure of MERS-RBD bound with 4C2 antibody |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 74.083 Å | b: 110.401 Å | c: 172.981 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.41 Å | Reflections | 54953 | Test set | 2784 (5.1%) | ||
R | 0.2446 | R-free | 0.2891 | ||||
According to PDB-REDO | |||||||
Resolution | 2.41 Å | Reflections | 54953 | Test set | 2784 (5.1%) | 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 | 0.2589 | 0.2541 |
R-free | 0.2945 | 0.2939 |
Bond length RMS Z-score | 0.477 | 0.337 |
Bond angle RMS Z-score | 0.651 | 0.597 |
Model quality | ||
Ramachandran plot normality | -1.216 47 | -1.328 44 |
Rotamer normality | -2.332 52 | -2.408 50 |
Coarse packing | 0.114 68 | 0.093 67 |
Fine packing | -0.182 79 | -0.082 81 |
Bump severity | 0.061 16 | 0.111 9 |
Hydrogen bond satisfaction | 0.869 21 | 0.858 16 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 12 |
Side chains flipped | 4 |
Waters removed | 16 |
Peptides flipped | 16 |
Chiralities fixed | 0 |
Residues fitting density better | 10 |
Residues fitting density worse | 8 |