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
R0.21400.20650.13190.1414
R-free0.23000.22500.16410.1737
σR-free 0.00510.00370.0039
Z(R-free) 11.254.415.05

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.107-0.175-0.206
2nd generation packing quality1-1.316-1.213-0.941
Ramachandran plot appearance1-0.4880.1750.148
Chi-1/Chi-2 rotamer normality1-0.219-0.159-0.091
Backbone conformation10.058-0.006-0.144
Bond length RMS Z-score20.2440.7840.774
Bond angle RMS Z-score20.5890.8910.857
Total number of bumps3242816
Unsatisfied H-bond donors/acceptors3162829
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 residues350
Significantly deteriorated residues0
Changes of all residuesPlot

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