Optimised PDB entry 4elv



Structure
SpacegroupP 31 2 1
Cell dimensionsa: 109.213 Åb: 109.213 Åc: 91.047 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 49727Test set: 2491 (5.0%)
Resolution range47.29 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17600.17420.17160.1714
R-free0.21600.21040.21000.2127
σR-free 0.00420.00420.0043
Z(R-free) 0.670.00-0.67

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0760.0010.012
2nd generation packing quality1-0.287-0.184-0.067
Ramachandran plot appearance1-0.0560.2500.179
Chi-1/Chi-2 rotamer normality1-0.960-0.368-0.254
Backbone conformation1-0.473-0.558-0.541
Bond length RMS Z-score20.4420.4060.404
Bond angle RMS Z-score20.7170.6920.690
Total number of bumps3512526
Unsatisfied H-bond donors/acceptors3333332
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 residues31
Significantly deteriorated residues3
Changes of all residuesPlot

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