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Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin in complex with 6SO4-3SLN |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 98.853 Å | b: 124.873 Å | c: 163.648 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.90 Å | Reflections | 45524 | Test set | 2299 (5.1%) | ||
R | 0.1915 | R-free | 0.2374 | ||||
According to PDB-REDO | |||||||
Resolution | 2.90 Å | Reflections | 45524 | Test set | 2299 (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 | 0.1919 | 0.1954 |
R-free | 0.2375 | 0.2309 |
Bond length RMS Z-score | 0.625 | 0.355 |
Bond angle RMS Z-score | 0.662 | 0.563 |
Model quality | ||
Ramachandran plot normality | -3.126 16 | -2.514 23 |
Rotamer normality | -2.568 40 | -1.891 53 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 38 |
Side chains flipped | 11 |
Waters removed | 46 |
Peptides flipped | 5 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 1 |