Optimised PDB entry 2az5



Structure
SpacegroupH 3
Cell dimensionsa: 165.254 Åb: 165.254 Åc: 63.728 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 50716Test set: 2573 (5.1%)
Resolution range27.45 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22000.27390.20540.2047
R-free0.27800.31760.23950.2378
σR-free 0.00630.00550.0054
Z(R-free) -0.443.043.24

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0750.1910.033
2nd generation packing quality1-1.059-0.947-0.641
Ramachandran plot appearance1-2.405-1.631-1.532
Chi-1/Chi-2 rotamer normality1-3.600-3.323-2.793
Backbone conformation10.4000.5600.572
Bond length RMS Z-score20.4860.8180.813
Bond angle RMS Z-score20.6560.9670.957
Total number of bumps3522429
Unsatisfied H-bond donors/acceptors3272429
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 residues28
Significantly deteriorated residues2
Changes of all residuesPlot

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