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Structure of the A_Canine_Colorado_17864_06 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 | C 2 2 21 | a: 167.306 Å | b: 348.485 Å | c: 95.813 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 3.00 Å | Reflections | 53624 | Test set | 2728 (5.1%) | ||
R | 0.2330 | R-free | 0.2760 | ||||
According to PDB-REDO | |||||||
Resolution | 3.00 Å | Reflections | 53624 | Test set | 2728 (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 | 0.2330 | 0.2246 |
R-free | 0.2756 | 0.2580 |
Bond length RMS Z-score | 0.682 | 0.430 |
Bond angle RMS Z-score | 0.685 | 0.648 |
Model quality | ||
Ramachandran plot normality | -4.493 7 | -3.736 11 |
Rotamer normality | -3.831 21 | -3.544 24 |
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 | 31 |
Side chains flipped | 17 |
Waters removed | 19 |
Peptides flipped | 8 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 1 |