PDB entry 4j0h



Structure
SpacegroupP 1
Cell dimensionsa: 47.551 Åb: 62.960 Åc: 84.474 Å
α: 70.74°β: 85.18°γ: 79.55°
Resolution1.80 Å

Experimental data
ReflectionsAll: 82235Test set: 4104 (5.0%)
Resolution range19.68 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.14900.14580.14340.1449
R-free0.18300.17510.17160.1735
σR-free 0.00270.00270.0027
R-free Z-score 1.111.331.30

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.427-0.420-0.392
2nd generation packing quality1-1.057-1.063-0.956
Ramachandran plot appearance10.2150.3490.346
Chi-1/Chi-2 rotamer normality1-0.386-0.209-0.313
Backbone conformation10.067-0.0050.022
Bond length RMS Z-score20.2780.5230.525
Bond angle RMS Z-score20.5290.7020.703
Total number of bumps3168133112
Unsatisfied H-bond donors/acceptors3296564
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 residues1955
Significantly deteriorated residues317
Changes of all residuesPlot Plot

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