This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
Horse Heart Myoglobin Mutant -V68A/I107Y-Sulfide Derivative |
This entry was created with PDB-REDO version 7.22. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 1 21 1 | a: 35.003 Å | b: 28.516 Å | c: 62.696 Å | α: 90.00° | β: 105.61° | γ: 90.00° |
Resolution | 1.90 Å | Reflections | 9366 | Test set | 0 (0.0%) | ||
R | 0.1640 | R-free | 0.2270 | ||||
According to PDB-REDO | |||||||
Resolution | 1.90 Å | Reflections | 9366 | Test set | 974 (10.4%) New test set, PDB-REDO compensated for this | ||
Twin | false | Radiation damage | N/A | ||||
PDB-REDO files | |||||||
Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
Links | |||||||
PDBe | RCSB PDB | 3D bionotes | Proteopedia |
Original | PDB-REDO | |
---|---|---|
Crystallographic refinement | ||
R | 0.1656 | 0.1539 |
R-free | 0.2149 R-free was considered biased, the estimated unbiased R-free was used | 0.2093 |
Bond length RMS Z-score | 0.831 | 0.695 |
Bond angle RMS Z-score | 0.948 | 1.015 |
Model quality | ||
Ramachandran plot normality | -0.357 72 | 0.109 82 |
Rotamer normality | -3.567 31 | -3.206 37 |
Coarse packing | 0.990 94 | 0.998 94 |
Fine packing | 0.318 88 | 0.426 89 |
Bump severity | 0.028 31 | 0.031 28 |
Hydrogen bond satisfaction | 0.939 93 | 0.932 88 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 2 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 5 |
Residues fitting density worse | 0 |