Optimised PDB entry 2j6f



Warnings!

Structure
SpacegroupI 4 2 2
Cell dimensionsa: 66.510 Åb: 66.510 Åc: 67.779 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 8557Test set: 0 (0.0%)
Resolution range19.32 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19000.22120.18910.1926
R-free0.21800.20160.19340.2056
σR-free 0.00660.00630.0067
Z(R-free) 9.144.843.36

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.667-1.730-1.769
2nd generation packing quality11.6641.6881.692
Ramachandran plot appearance11.1550.9110.967
Chi-1/Chi-2 rotamer normality13.2112.4951.985
Backbone conformation11.4451.1461.116
Bond length RMS Z-score20.5380.8360.839
Bond angle RMS Z-score20.6820.9220.915
Total number of bumps3230
Unsatisfied H-bond donors/acceptors3102
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 residues11
Significantly deteriorated residues1
Changes of all residuesPlot

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