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
R0.21200.21180.18760.1776
R-free0.27000.26710.22690.2204
σR-free 0.00390.00340.0033
Z(R-free) 7.5610.538.58

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.1040.1800.147
2nd generation packing quality1-0.7030.0270.066
Ramachandran plot appearance1-2.616-0.339-0.225
Chi-1/Chi-2 rotamer normality1-3.003-1.116-0.706
Backbone conformation10.2270.4020.358
Bond length RMS Z-score20.3250.5530.669
Bond angle RMS Z-score20.6310.8450.880
Total number of bumps32405958
Unsatisfied H-bond donors/acceptors3877586
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 residues244
Significantly deteriorated residues8
Changes of all residuesPlot

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