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Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with 6'-SLNLN |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | C 1 2 1 | a: 210.401 Å | b: 132.173 Å | c: 72.468 Å | α: 90.00° | β: 97.93° | γ: 90.00° |
Resolution | 2.24 Å | Reflections | 93317 | Test set | 4625 (5.0%) | ||
R | 0.1572 | R-free | 0.2069 | ||||
According to PDB-REDO | |||||||
Resolution | 2.24 Å | Reflections | 93317 | Test set | 4625 (5.0%) | ||
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 | |
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Crystallographic refinement | ||
R | 0.1689 | 0.1662 |
R-free | 0.2142 | 0.2009 |
Bond length RMS Z-score | 0.632 | 0.341 |
Bond angle RMS Z-score | 0.752 | 0.540 |
Model quality | ||
Ramachandran plot normality | -1.284 45 | -1.338 44 |
Rotamer normality | -1.533 67 | -0.947 78 |
Coarse packing | 0.061 65 | 0.016 63 |
Fine packing | -1.526 30 | -1.482 32 |
Bump severity | 0.509 1 | 0.249 4 |
Hydrogen bond satisfaction | 0.889 37 | 0.890 38 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 42 |
Side chains flipped | 0 |
Waters removed | 114 |
Peptides flipped | 2 |
Chiralities fixed | 0 |
Residues fitting density better | 6 |
Residues fitting density worse | 1 |