Optimised PDB entry 1jfg



Warnings!

Structure
SpacegroupP 31 2 1
Cell dimensionsa: 122.574 Åb: 122.574 Åc: 150.869 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 42182Test set: 3333 (7.9%)
Resolution range14.94 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21700.21450.17330.1693
R-free0.25400.24880.20790.2041
σR-free 0.00430.00360.0035
Z(R-free) 7.124.944.69

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0180.2700.311
2nd generation packing quality1-1.389-1.040-0.923
Ramachandran plot appearance1-1.880-0.308-0.104
Chi-1/Chi-2 rotamer normality1-3.369-1.091-0.778
Backbone conformation1-1.585-1.292-1.274
Bond length RMS Z-score20.4230.5490.530
Bond angle RMS Z-score20.6560.7760.740
Total number of bumps3712016
Unsatisfied H-bond donors/acceptors3353940
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 residues174
Significantly deteriorated residues0
Changes of all residuesPlot

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