Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.18000.17060.17060.1950
R-free0.20900.19550.19550.2174
σR-free 0.0045NA0.0050
Z(R-free) -1.20NA-0.02

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality11.8581.8551.669
2nd generation packing quality1-1.228-1.224-1.154
Ramachandran plot appearance12.7152.7232.665
Chi-1/Chi-2 rotamer normality1-0.768-0.768-0.324
Backbone conformation12.4232.4232.430
Bond length RMS Z-score21.4191.4200.766
Bond angle RMS Z-score21.3521.3520.921
Total number of bumps312127
Unsatisfied H-bond donors/acceptors3689
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues2
Significantly deteriorated residues33
Changes of all residuesPlot

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