Optimised PDB entry 1o6k



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 44.906 Åb: 60.998 Åc: 129.410 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 30600Test set: 1517 (5.0%)
Resolution range36.89 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20500.19810.15480.1533
R-free0.23400.22880.19300.1919
σR-free 0.00590.00500.0049
Z(R-free) 1.88-1.10-1.27

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.231-0.967-1.041
2nd generation packing quality1-1.597-1.340-1.289
Ramachandran plot appearance1-1.631-0.518-0.454
Chi-1/Chi-2 rotamer normality1-1.759-0.746-0.765
Backbone conformation1-0.609-0.551-0.502
Bond length RMS Z-score20.5440.7560.722
Bond angle RMS Z-score20.7210.9010.873
Total number of bumps351316
Unsatisfied H-bond donors/acceptors3222017
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 residues226
Significantly deteriorated residues1
Changes of all residuesPlot

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