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
R0.19000.20100.19980.1969
R-freeNA0.20340.23860.2343
σR-free 0.00650.00770.0075
Z(R-free) 5.820.160.27

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1NANA-0.942
2nd generation packing quality1NANA-0.613
Ramachandran plot appearance1-4.323-2.308-1.703
Chi-1/Chi-2 rotamer normality1-5.873-3.061-2.137
Backbone conformation1-0.8050.0910.083
Bond length RMS Z-score21.1910.6210.492
Bond angle RMS Z-score22.2540.8800.775
Total number of bumps32093329
Unsatisfied H-bond donors/acceptors3362932
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 residues10
Significantly deteriorated residues2
Changes of all residuesPlot

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