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 conservative optimisationAfter full optimisation
R0.17500.17290.17100.1677
R-free0.27000.17610.20450.2043
σR-free 0.00250.00290.0029
R-free Z-score 15.402.691.34

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.862-0.650-0.283
2nd generation packing quality1-1.954-1.603-0.846
Ramachandran plot appearance1-1.6250.1160.210
Chi-1/Chi-2 rotamer normality1-3.105-0.255-0.151
Backbone conformation1-0.436-0.015-0.009
Bond length RMS Z-score20.9530.4050.400
Bond angle RMS Z-score21.3880.6290.635
Total number of bumps32074338
Unsatisfied H-bond donors/acceptors3242528
Full WHAT_CHECK reportsLink LinkLink

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

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues2139
Significantly deteriorated residues1040
Changes of all residuesPlot Plot

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