Optimised PDB entry 1d8c



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 73.800 Åb: 88.700 Åc: 109.900 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 49241Test set: 2522 (5.1%)
Resolution range19.90 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17500.17240.16710.1627
R-free0.27000.17620.20090.1980
σR-free 0.00350.00400.0039
Z(R-free) 10.801.631.03

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.871-0.688-0.344
2nd generation packing quality1-2.209-1.716-0.876
Ramachandran plot appearance1-2.226-0.277-0.204
Chi-1/Chi-2 rotamer normality1-4.693-0.428-0.485
Backbone conformation1-1.123-0.714-0.764
Bond length RMS Z-score20.9530.4610.462
Bond angle RMS Z-score21.3880.6780.686
Total number of bumps31712218
Unsatisfied H-bond donors/acceptors3293335
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 residues46
Significantly deteriorated residues8
Changes of all residuesPlot

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