Optimised PDB entry 1szd



Structure
SpacegroupP 32 2 1
Cell dimensionsa: 105.383 Åb: 105.383 Åc: 66.150 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 63844Test set: 1977 (3.1%)
Resolution range41.21 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21400.20660.13340.1386
R-free0.23000.22500.16440.1726
σR-free 0.00510.00370.0039
Z(R-free) 11.274.864.33

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.107-0.187-0.166
2nd generation packing quality1-1.316-1.196-1.054
Ramachandran plot appearance1-0.4880.1240.204
Chi-1/Chi-2 rotamer normality1-0.219-0.0300.148
Backbone conformation10.058-0.008-0.044
Bond length RMS Z-score20.2440.7640.752
Bond angle RMS Z-score20.5890.8790.854
Total number of bumps3242816
Unsatisfied H-bond donors/acceptors3162727
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 residues375
Significantly deteriorated residues0
Changes of all residuesPlot

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