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Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment |
This entry was created with PDB-REDO version 8.03. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 37.823 Å | b: 104.406 Å | c: 108.710 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.50 Å | Reflections | 69719 | Test set | 3514 (5.0%) | ||
R | 0.1285 | R-free | 0.1671 | ||||
According to PDB-REDO | |||||||
Resolution | 1.50 Å | Reflections | 69719 | Test set | 3514 (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 | 0.1304 | 0.1676 |
R-free | 0.1684 | 0.1886 |
Bond length RMS Z-score | 1.225 | 0.605 |
Bond angle RMS Z-score | 0.899 | 0.728 |
Model quality | ||
Ramachandran plot normality | 0.959 94 | 1.255 96 |
Rotamer normality | 1.231 99 | 0.925 98 |
Coarse packing | 0.623 86 | 0.622 86 |
Fine packing | 0.262 87 | 0.193 86 |
Bump severity | 0.003 82 | 0.003 82 |
Hydrogen bond satisfaction | 0.919 76 | 0.920 77 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 6 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 35 |