Optimised PDB entry 4eyw



Structure
SpacegroupP 42 21 2
Cell dimensionsa: 148.144 Åb: 148.144 Åc: 192.070 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.89 Å

Experimental data
ReflectionsAll: 168111Test set: 8396 (5.0%)
Resolution range45.98 Å1.89 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17300.17480.16040.1616
R-free0.19700.19680.17910.1813
σR-free 0.00210.00200.0020
Z(R-free) 3.333.953.55

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.6020.5950.593
2nd generation packing quality1-0.802-0.779-0.658
Ramachandran plot appearance10.8631.1331.106
Chi-1/Chi-2 rotamer normality1-0.533-0.051-0.053
Backbone conformation1-0.265-0.287-0.305
Bond length RMS Z-score20.3360.5750.566
Bond angle RMS Z-score20.5700.7460.742
Total number of bumps3302118
Unsatisfied H-bond donors/acceptors3596868
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 residues128
Significantly deteriorated residues0
Changes of all residuesPlot

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