PDB entry 3zot



Structure
SpacegroupH 3 2
Cell dimensionsa: 110.200 Åb: 110.200 Åc: 128.900 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.40 Å

Experimental data
ReflectionsAll: 11901Test set: 582 (4.9%)
Resolution range53.41 Å2.40 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19840.20870.19480.2022
R-free0.25170.26650.23280.2420
σR-free 0.01100.00960.0100
R-free Z-score -0.261.371.33

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.168-1.151-1.399
2nd generation packing quality1-1.496-1.352-1.275
Ramachandran plot appearance1-2.163-0.698-0.925
Chi-1/Chi-2 rotamer normality1-2.240-1.259-1.599
Backbone conformation1-0.404-0.419-0.458
Bond length RMS Z-score20.3600.3210.414
Bond angle RMS Z-score20.5540.5200.552
Total number of bumps3947
Unsatisfied H-bond donors/acceptors3779
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 residues111
Significantly deteriorated residues311
Changes of all residuesPlot Plot

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