Optimised PDB entry 2o9s



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 24.743 Åb: 36.562 Åc: 69.124 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution0.83 Å

Experimental data
ReflectionsAll: 56130Test set: 1575 (2.8%)
Resolution range25.12 Å0.83 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.10400.10770.10770.1088
R-free0.12100.10970.10970.1199
σR-free 0.0028NA0.0031
Z(R-free) 3.96NA0.68

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.118-1.118-1.104
2nd generation packing quality10.6070.6070.419
Ramachandran plot appearance1-0.881-0.881-0.866
Chi-1/Chi-2 rotamer normality1-0.074-0.074-0.391
Backbone conformation11.1791.1791.105
Bond length RMS Z-score20.6370.6370.762
Bond angle RMS Z-score21.0491.0490.980
Total number of bumps3332
Unsatisfied H-bond donors/acceptors3131
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 residues30
Significantly deteriorated residues6
Changes of all residuesPlot

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