Optimised PDB entry 4brh



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 62.435 Åb: 85.759 Åc: 72.306 Å
α: 90.00°β: 106.44°γ: 90.00°
Resolution1.69 Å

Experimental data
ReflectionsAll: 80259Test set: 1175 (1.5%)
Resolution range29.03 Å1.69 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.15940.15260.14890.1476
R-free0.19190.18140.17900.1782
σR-free 0.00530.00520.0052
Z(R-free) -0.13-0.52-0.65

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1040.0480.042
2nd generation packing quality1-1.616-1.732-1.746
Ramachandran plot appearance1-0.275-0.234-0.183
Chi-1/Chi-2 rotamer normality1-1.781-1.437-1.197
Backbone conformation1-0.374-0.395-0.404
Bond length RMS Z-score20.8091.0441.011
Bond angle RMS Z-score20.9201.0481.016
Total number of bumps3292833
Unsatisfied H-bond donors/acceptors3354140
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 residues45
Significantly deteriorated residues2
Changes of all residuesPlot

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