This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
Crystal structure of myoglobin reconstituted with 7-methyl-7-depropionatehemin |
This entry was created with PDB-REDO version 7.30. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 1 21 1 | a: 63.768 Å | b: 30.517 Å | c: 34.434 Å | α: 90.00° | β: 105.59° | γ: 90.00° |
Resolution | 1.40 Å | Reflections | 25358 | Test set | 1271 (5.0%) | ||
R | 0.1270 | R-free | 0.1950 | ||||
According to PDB-REDO | |||||||
Resolution | 1.40 Å | Reflections | 25358 | Test set | 1271 (5.0%) | ||
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 | 0.1314 | 0.1780 |
R-free | 0.1910 | 0.2104 |
Bond length RMS Z-score | 0.509 | 0.554 |
Bond angle RMS Z-score | 1.232 | 0.837 |
Model quality | ||
Ramachandran plot normality | -1.206 47 | -0.341 72 |
Rotamer normality | -2.115 56 | -1.572 66 |
Coarse packing | 1.416 97 | 1.389 97 |
Fine packing | 0.742 93 | 0.739 93 |
Bump severity | 0.136 8 | 0.025 34 |
Hydrogen bond satisfaction | 0.956 98 | 0.970 99 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 2 |
Side chains flipped | 0 |
Waters removed | 26 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 22 |