PDB entry 4m6d



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 43.914 Åb: 132.289 Åc: 131.539 Å
α: 118.59°β: 96.39°γ: 96.27°
Resolution2.68 Å

Experimental data
ReflectionsAll: 56402Test set: 2859 (5.1%)
Resolution range37.82 Å2.69 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16500.27380.23280.2219
R-free0.21600.28980.25380.2487
σR-free 0.00540.00470.0047
Z(R-free) 7.195.453.74

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.536-2.162-2.188
2nd generation packing quality1-1.215-0.562-0.673
Ramachandran plot appearance1-3.997-3.190-3.798
Chi-1/Chi-2 rotamer normality1-4.354-4.041-3.697
Backbone conformation1-1.815-1.535-1.872
Bond length RMS Z-score20.6670.5030.755
Bond angle RMS Z-score20.7750.8060.954
Total number of bumps3359288417
Unsatisfied H-bond donors/acceptors312511293
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 residues334
Significantly deteriorated residues3
Changes of all residuesPlot

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