Optimised PDB entry 2zpx



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 49.586 Åb: 111.331 Åc: 75.382 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.83 Å

Experimental data
ReflectionsAll: 9762Test set: 1009 (10.3%)
Resolution range55.67 Å2.83 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.26800.27160.28250.2882
R-free0.30900.31380.30450.3066
σR-free 0.00990.00960.0097
Z(R-free) 1.223.594.04

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.581-0.563-0.898
2nd generation packing quality1-1.707-1.617-1.705
Ramachandran plot appearance1-4.123-3.321-3.299
Chi-1/Chi-2 rotamer normality1-3.200-1.850-2.723
Backbone conformation10.6910.8460.702
Bond length RMS Z-score20.5340.4070.453
Bond angle RMS Z-score20.7910.6870.745
Total number of bumps31241125
Unsatisfied H-bond donors/acceptors3544653
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 residues7
Significantly deteriorated residues16
Changes of all residuesPlot

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