PDB entry 4kji



Warnings!

Structure
SpacegroupP 43 2 2
Cell dimensionsa: 83.649 Åb: 83.649 Åc: 94.239 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.20 Å

Experimental data
ReflectionsAll: 5893Test set: 0 (0.0%)
Resolution range29.41 Å3.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22200.23820.25150.2594
R-free0.31700.26370.27920.2925
σR-free 0.01110.01170.0123
R-free Z-score 1.911.851.45

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.314-1.072-1.204
2nd generation packing quality1-1.938-1.789-2.056
Ramachandran plot appearance1-3.586-3.065-2.943
Chi-1/Chi-2 rotamer normality1-5.867-5.130-5.527
Backbone conformation10.9560.9790.657
Bond length RMS Z-score20.5900.4001.076
Bond angle RMS Z-score20.9510.7471.037
Total number of bumps313097179
Unsatisfied H-bond donors/acceptors3121114
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 residues30
Significantly deteriorated residues93
Changes of all residuesPlot Plot

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