Optimised PDB entry 1uv5



Warnings!

Structure
SpacegroupP 43 21 2
Cell dimensionsa: 98.333 Åb: 98.333 Åc: 198.017 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 24569Test set: 0 (0.0%)
Resolution range24.46 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19300.19780.17320.1853
R-free0.22600.20720.20720.2249
σR-free 0.00590.00590.0064
Z(R-free) 5.120.10-0.39

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.246-1.017-1.107
2nd generation packing quality1-1.285-0.965-0.497
Ramachandran plot appearance1-3.859-2.377-2.443
Chi-1/Chi-2 rotamer normality1-5.447-3.801-2.955
Backbone conformation1-0.384-0.479-0.625
Bond length RMS Z-score20.8520.6020.636
Bond angle RMS Z-score20.9360.8220.840
Total number of bumps3701214
Unsatisfied H-bond donors/acceptors3201824
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 residues37
Significantly deteriorated residues6
Changes of all residuesPlot

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