Optimised PDB entry 4i56



Structure
SpacegroupI 41 3 2
Cell dimensionsa: 226.082 Åb: 226.082 Åc: 226.082 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 150412Test set: 10779 (7.2%)
Resolution range28.71 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.16800.16780.12570.1286
R-free0.18900.18920.15750.1588
σR-free 0.00180.00150.0015
Z(R-free) 23.7210.8012.60

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3190.3940.413
2nd generation packing quality1-0.876-0.765-0.748
Ramachandran plot appearance10.3800.8980.935
Chi-1/Chi-2 rotamer normality1-1.309-0.952-0.927
Backbone conformation1-0.540-0.476-0.464
Bond length RMS Z-score20.9360.8290.703
Bond angle RMS Z-score20.8910.9310.850
Total number of bumps3201819
Unsatisfied H-bond donors/acceptors3424440
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 residues491
Significantly deteriorated residues0
Changes of all residuesPlot

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