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 conservative optimisationAfter full optimisation
R0.21200.21360.18700.1821
R-free0.27000.26810.22860.2202
σR-free 0.00280.00240.0023
R-free Z-score 11.0713.8315.13

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.1040.1950.188
2nd generation packing quality1-0.7030.0130.198
Ramachandran plot appearance1-2.616-0.225-0.129
Chi-1/Chi-2 rotamer normality1-3.003-1.207-0.010
Backbone conformation10.2270.3280.244
Bond length RMS Z-score20.3250.3980.379
Bond angle RMS Z-score20.6310.6710.644
Total number of bumps32407482
Unsatisfied H-bond donors/acceptors3878370
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 residues200113
Significantly deteriorated residues617
Changes of all residuesPlot Plot

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