Optimised PDB entry 3zlx



Structure
SpacegroupP 61 2 2
Cell dimensionsa: 76.930 Åb: 76.930 Åc: 221.757 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 20515Test set: 1051 (5.1%)
Resolution range49.49 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20360.20650.18230.1820
R-free0.23610.24580.22660.2291
σR-free 0.00760.00700.0071
Z(R-free) 1.750.30-0.11

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.428-0.317-0.362
2nd generation packing quality1-0.206-0.364-0.369
Ramachandran plot appearance1-0.737-1.130-0.904
Chi-1/Chi-2 rotamer normality1-2.814-2.325-2.153
Backbone conformation1-0.626-0.521-0.532
Bond length RMS Z-score20.6600.8770.858
Bond angle RMS Z-score20.8870.9550.947
Total number of bumps361020
Unsatisfied H-bond donors/acceptors3141214
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 residues84
Significantly deteriorated residues2
Changes of all residuesPlot

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