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INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID |
This entry was created with PDB-REDO version 7.36. |
From original header | |||||||
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Spacegroup | I 4 3 2 | a: 180.940 Å | b: 180.940 Å | c: 180.940 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.90 Å | Reflections | 39836 | Test set | 2004 (5.0%) | ||
R | 0.1360 | R-free | 0.1770 | ||||
According to PDB-REDO | |||||||
Resolution | 1.90 Å | Reflections | 39836 | Test set | 2004 (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 | |
---|---|---|
Crystallographic refinement | ||
R | 0.1368 | 0.1386 |
R-free | 0.1774 | 0.1706 |
Bond length RMS Z-score | 0.893 | 0.419 |
Bond angle RMS Z-score | 0.933 | 0.695 |
Model quality | ||
Ramachandran plot normality | -2.128 27 | -1.828 33 |
Rotamer normality | -1.791 62 | -1.224 73 |
Coarse packing | -0.707 27 | -0.698 27 |
Fine packing | -2.141 11 | -2.008 14 |
Bump severity | 0.408 2 | 0.414 2 |
Hydrogen bond satisfaction | 0.857 16 | 0.871 22 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 16 |
Side chains flipped | 0 |
Waters removed | 54 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |