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 conservative optimisationAfter full optimisation
R0.19000.21340.20880.2033
R-freeNA0.21510.24670.2435
σR-free 0.00470.00540.0053
R-free Z-score 8.720.720.09

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1NANA-1.145
2nd generation packing quality1NANA-0.741
Ramachandran plot appearance1-4.323-2.362-1.946
Chi-1/Chi-2 rotamer normality1-5.873-3.928-3.255
Backbone conformation1-0.8050.1190.078
Bond length RMS Z-score21.1910.7570.698
Bond angle RMS Z-score22.2540.9690.925
Total number of bumps32095141
Unsatisfied H-bond donors/acceptors3363934
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues3424
Significantly deteriorated residues01
Changes of all residuesPlot Plot

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