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 ScGas2 in complex with compound 8 |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 21 21 21 | a: 71.569 Å | b: 139.440 Å | c: 161.654 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.15 Å | Reflections | 88533 | Test set | 2669 (3.0%) | ||
R | 0.2106 | R-free | 0.2480 | ||||
According to PDB-REDO | |||||||
Resolution | 2.15 Å | Reflections | 88533 | Test set | 2669 (3.0%) | ||
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 | 0.2103 | 0.1928 |
R-free | 0.2469 | 0.2220 |
Bond length RMS Z-score | 0.882 | 0.532 |
Bond angle RMS Z-score | 0.770 | 0.674 |
Model quality | ||
Ramachandran plot normality | -1.746 36 | -1.288 47 |
Rotamer normality | -1.799 55 | -1.127 69 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 9 |
Side chains flipped | 0 |
Waters removed | 30 |
Peptides flipped | 2 |
Chiralities fixed | 0 |
Residues fitting density better | 5 |
Residues fitting density worse | 1 |