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crystal structure of human Beta-galactoside alpha-2,6-sialyltransferase 1 in complex with cytidine and phosphate |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 61 | a: 65.292 Å | b: 65.292 Å | c: 162.232 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
Resolution | 2.09 Å | Reflections | 21169 | Test set | 1086 (5.1%) | ||
R | 0.1930 | R-free | 0.2280 | ||||
According to PDB-REDO | |||||||
Resolution | 2.09 Å | Reflections | 21169 | Test set | 1086 (5.1%) | ||
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 | |
---|---|---|
Crystallographic refinement | ||
R | 0.2090 | 0.2137 |
R-free | 0.2380 | 0.2419 |
Bond length RMS Z-score | 0.359 | 0.583 |
Bond angle RMS Z-score | 0.618 | 0.755 |
Model quality | ||
Ramachandran plot normality | -2.850 18 | -3.664 11 |
Rotamer normality | -3.520 32 | -3.435 33 |
Coarse packing | -1.226 10 | -1.343 8 |
Fine packing | -2.770 3 | -2.659 4 |
Bump severity | 0.256 4 | 0.255 4 |
Hydrogen bond satisfaction | 0.863 18 | 0.849 13 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 3 |
Side chains flipped | 0 |
Waters removed | 18 |
Peptides flipped | 2 |
Chiralities fixed | 0 |
Residues fitting density better | 12 |
Residues fitting density worse | 2 |