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
R0.17500.17250.16420.1599
R-free0.27000.17620.20060.1966
σR-free 0.00350.00400.0039
Z(R-free) 10.830.800.49

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.862-0.650-0.294
2nd generation packing quality1-1.954-1.561-0.812
Ramachandran plot appearance1-1.6250.1850.272
Chi-1/Chi-2 rotamer normality1-3.105-0.062-0.010
Backbone conformation1-0.436-0.007-0.125
Bond length RMS Z-score20.9530.4020.403
Bond angle RMS Z-score21.3880.6340.642
Total number of bumps32074338
Unsatisfied H-bond donors/acceptors3242527
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 residues59
Significantly deteriorated residues2
Changes of all residuesPlot

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