Optimised PDB entry 3zot



Structure
SpacegroupH 3 2
Cell dimensionsa: 110.200 Åb: 110.200 Åc: 128.900 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.40 Å

Experimental data
ReflectionsAll: 11901Test set: 582 (4.9%)
Resolution range53.41 Å2.40 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19840.20830.17910.1785
R-free0.25170.26640.22750.2265
σR-free 0.01100.00940.0094
Z(R-free) -0.31-0.14-0.12

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.168-1.142-1.314
2nd generation packing quality1-1.282-1.083-0.860
Ramachandran plot appearance1-2.970-1.453-1.065
Chi-1/Chi-2 rotamer normality1-3.218-1.943-2.174
Backbone conformation1-1.491-1.650-1.740
Bond length RMS Z-score20.3600.5350.536
Bond angle RMS Z-score20.5540.6860.688
Total number of bumps3675
Unsatisfied H-bond donors/acceptors3968
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 residues36
Significantly deteriorated residues0
Changes of all residuesPlot

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