PDB entry 2f4j



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 44.768 Åb: 59.417 Åc: 66.896 Å
α: 90.00°β: 98.42°γ: 90.00°
Resolution1.91 Å

Experimental data
ReflectionsAll: 24713Test set: 1696 (6.9%)
Resolution range44.29 Å1.91 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20700.19820.17480.1707
R-free0.23900.23220.21820.2199
σR-free 0.00580.00540.0055
R-free Z-score 2.17-0.43-1.65

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.717-0.728-0.678
2nd generation packing quality1-0.457-0.404-0.194
Ramachandran plot appearance1-1.154-0.820-0.668
Chi-1/Chi-2 rotamer normality1-1.564-1.686-1.460
Backbone conformation1-0.343-0.280-0.390
Bond length RMS Z-score20.2730.7930.789
Bond angle RMS Z-score20.6080.8560.840
Total number of bumps3353128
Unsatisfied H-bond donors/acceptors3897
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 residues9530
Significantly deteriorated residues19
Changes of all residuesPlot Plot

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