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Crystal structure of human 1G04 Fab in complex with influenza virus neuraminidase from A/Hunan/02650/2016 (H7N9) |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | I 4 | a: 180.242 Å | b: 180.242 Å | c: 148.125 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 3.45 Å | Reflections | 30994 | Test set | 1494 (4.8%) | ||
R | 0.1971 | R-free | 0.2472 | ||||
According to PDB-REDO | |||||||
Resolution | 3.45 Å | Reflections | 30994 | Test set | 1494 (4.8%) | ||
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 | 0.2321 | 0.2128 |
R-free | 0.2709 | 0.2441 |
Bond length RMS Z-score | 0.687 | 0.387 |
Bond angle RMS Z-score | 0.820 | 0.589 |
Model quality | ||
Ramachandran plot normality | -2.640 20 | -3.023 16 |
Rotamer normality | -5.026 15 | -3.586 31 |
Coarse packing | -1.146 12 | -0.780 24 |
Fine packing | -1.629 26 | -1.150 47 |
Bump severity | 0.292 3 | 0.136 8 |
Hydrogen bond satisfaction | 0.822 7 | 0.837 10 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 63 |
Residues fitting density worse | 0 |