This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
THREE-DIMENSIONAL STRUCTURE OF CYANOMET-SULFMYOGLOBIN C |
This entry was created with PDB-REDO version 7.30. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 1 21 1 | a: 64.500 Å | b: 28.910 Å | c: 35.660 Å | α: 90.00° | β: 107.00° | γ: 90.00° |
Resolution | 2.00 Å | Reflections | 5369 | Test set | 0 (0.0%) | ||
R | 0.1290 | R-free | N/A | ||||
According to PDB-REDO | |||||||
Resolution | 2.00 Å | Reflections | 5369 | Test set | 546 (10.2%) 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 | 0.1386 | 0.1856 |
R-free | 0.1643 R-free was considered biased, the estimated unbiased R-free was used | 0.2401 |
Bond length RMS Z-score | 1.751 | 0.542 |
Bond angle RMS Z-score | 2.601 | 0.860 |
Model quality | ||
Ramachandran plot normality | -6.455 2 | -5.815 3 |
Rotamer normality | -6.571 6 | -4.950 16 |
Coarse packing | -0.573 33 | -0.259 48 |
Fine packing | -2.219 9 | -1.533 30 |
Bump severity | 0.047 20 | 0.019 41 |
Hydrogen bond satisfaction | 0.865 19 | 0.869 21 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 3 |
Side chains flipped | 0 |
Waters removed | 50 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |