Optimised PDB entry 1ctp



Warnings!

Structure
SpacegroupP 41 3 2
Cell dimensionsa: 171.500 Åb: 171.500 Åc: 171.500 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.90 Å

Experimental data
ReflectionsAll: 19495Test set: 0 (0.0%)
Resolution range41.59 Å2.90 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19000.20050.19970.1928
R-freeNA0.20410.23390.2238
σR-free 0.00630.00730.0070
Z(R-free) 5.790.781.09

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1NANA-1.119
2nd generation packing quality1NANA-0.602
Ramachandran plot appearance1-5.474-2.612-2.182
Chi-1/Chi-2 rotamer normality1-8.586-5.041-4.997
Backbone conformation1-1.301-0.594-0.519
Bond length RMS Z-score21.1910.6420.638
Bond angle RMS Z-score22.2540.8710.886
Total number of bumps32081614
Unsatisfied H-bond donors/acceptors3394145
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 residues9
Significantly deteriorated residues2
Changes of all residuesPlot

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