PDB entry 1cdg



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 120.363 Åb: 110.935 Åc: 66.429 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 48567Test set: 0 (0.0%)
Resolution range15.03 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16400.16190.15010.1677
R-freeNA0.15920.19120.1982
σR-free 0.00230.00270.0028
R-free Z-score 18.57-1.523.89

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.358-0.328-0.278
2nd generation packing quality1-1.249-1.113-0.893
Ramachandran plot appearance1-1.737-0.918-0.771
Chi-1/Chi-2 rotamer normality1-2.970-1.443-0.951
Backbone conformation1-1.041-0.880-0.766
Bond length RMS Z-score20.8570.7080.382
Bond angle RMS Z-score21.2860.8290.610
Total number of bumps31235935
Unsatisfied H-bond donors/acceptors3343439
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 residues734
Significantly deteriorated residues113
Changes of all residuesPlot Plot

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