Optimised PDB entry 4jv4



Warnings!

Structure
SpacegroupP 65 2 2
Cell dimensionsa: 89.830 Åb: 89.830 Åc: 185.055 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.95 Å

Experimental data
ReflectionsAll: 9850Test set: 0 (0.0%)
Resolution range44.92 Å2.95 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21800.24260.21860.2148
R-free0.28600.23620.26380.2645
σR-free 0.00760.00850.0085
Z(R-free) 7.22-0.18-0.79

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.868-1.295-0.418
2nd generation packing quality1-2.343-1.312-0.531
Ramachandran plot appearance1-5.924-3.982-4.048
Chi-1/Chi-2 rotamer normality1-7.145-4.648-5.639
Backbone conformation1-1.346-1.041-0.909
Bond length RMS Z-score20.4490.5200.519
Bond angle RMS Z-score20.6570.7360.783
Total number of bumps364815
Unsatisfied H-bond donors/acceptors3131422
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 residues58
Significantly deteriorated residues7
Changes of all residuesPlot

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