PDB entry 4jv8



Structure
SpacegroupP 32 2 1
Cell dimensionsa: 55.970 Åb: 55.970 Åc: 115.560 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.45 Å

Experimental data
ReflectionsAll: 37927Test set: 1897 (5.0%)
Resolution range27.99 Å1.45 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18000.17150.17150.1833
R-free0.20900.19730.19730.1993
σR-free 0.0045NA0.0046
R-free Z-score -1.38NA1.09

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality11.8581.8561.770
2nd generation packing quality1-1.681-1.679-1.348
Ramachandran plot appearance11.6051.6121.688
Chi-1/Chi-2 rotamer normality1-0.419-0.4190.868
Backbone conformation11.1291.1291.204
Bond length RMS Z-score21.4191.4200.389
Bond angle RMS Z-score21.3521.3520.651
Total number of bumps3535324
Unsatisfied H-bond donors/acceptors3769
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 residues42
Significantly deteriorated residues3799
Changes of all residuesPlot Plot

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