Optimised PDB entry 1o6l



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 44.936 Åb: 60.997 Åc: 131.315 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.60 Å

Experimental data
ReflectionsAll: 42729Test set: 2142 (5.0%)
Resolution range37.08 Å1.59 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19800.19030.14800.1467
R-free0.22700.21870.18360.1812
σR-free 0.00470.00400.0039
Z(R-free) 0.98-2.48-2.33

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.070-0.822-0.823
2nd generation packing quality1-1.660-1.697-1.447
Ramachandran plot appearance1-1.437-0.550-0.508
Chi-1/Chi-2 rotamer normality1-0.912-0.750-0.867
Backbone conformation1-0.449-0.348-0.321
Bond length RMS Z-score20.5340.9000.857
Bond angle RMS Z-score20.7280.9880.940
Total number of bumps351112
Unsatisfied H-bond donors/acceptors3182120
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 residues277
Significantly deteriorated residues1
Changes of all residuesPlot

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