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Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin in complex with 6SO4-Sialyl Lewis X |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 99.551 Å | b: 125.751 Å | c: 165.107 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.90 Å | Reflections | 45818 | Test set | 2333 (5.1%) | ||
R | 0.1983 | R-free | 0.2480 | ||||
According to PDB-REDO | |||||||
Resolution | 2.90 Å | Reflections | 45818 | Test set | 2333 (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 | 0.1990 | 0.2065 |
R-free | 0.2485 | 0.2437 |
Bond length RMS Z-score | 0.642 | 0.280 |
Bond angle RMS Z-score | 0.664 | 0.508 |
Model quality | ||
Ramachandran plot normality | -3.611 12 | -2.862 18 |
Rotamer normality | -2.520 41 | -1.567 60 |
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 | 35 |
Side chains flipped | 11 |
Waters removed | 7 |
Peptides flipped | 12 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 8 |