Optimised PDB entry 3vqx



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 62.798 Åb: 69.422 Åc: 83.326 Å
α: 106.92°β: 91.41°γ: 113.83°
Resolution2.30 Å

Experimental data
ReflectionsAll: 45278Test set: 4573 (10.1%)
Resolution range48.15 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21200.21140.17670.1792
R-free0.27000.26690.22410.2216
σR-free 0.00390.00330.0033
Z(R-free) 7.467.068.88

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.1240.1590.141
2nd generation packing quality1-0.5570.0930.387
Ramachandran plot appearance1-3.556-0.918-0.577
Chi-1/Chi-2 rotamer normality1-4.735-3.067-1.400
Backbone conformation1-0.662-0.652-0.659
Bond length RMS Z-score20.3250.6200.509
Bond angle RMS Z-score20.6310.8640.773
Total number of bumps32276050
Unsatisfied H-bond donors/acceptors3877068
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 residues218
Significantly deteriorated residues5
Changes of all residuesPlot

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