Optimised PDB entry 1dd8



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 59.620 Åb: 142.710 Åc: 213.460 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 76797Test set: 0 (0.0%)
Resolution range29.87 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18800.17060.13220.1306
R-free0.21900.17210.15530.1549
σR-free 0.00280.00250.0025
Z(R-free) 19.077.767.08

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.558-0.574-0.567
2nd generation packing quality10.4620.6400.731
Ramachandran plot appearance1-2.018-1.094-1.118
Chi-1/Chi-2 rotamer normality1-2.289-1.589-0.791
Backbone conformation1-0.349-0.304-0.303
Bond length RMS Z-score20.5360.5960.581
Bond angle RMS Z-score20.7330.7880.773
Total number of bumps31082928
Unsatisfied H-bond donors/acceptors3727158
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues632
Significantly deteriorated residues0
Changes of all residuesPlot

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