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
R0.21400.20660.13340.1387
R-free0.23000.22500.16430.1733
σR-free 0.00510.00370.0039
Z(R-free) 11.274.894.21

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality11.0480.9921.033
2nd generation packing quality1-1.347-1.199-1.031
Ramachandran plot appearance1-0.0580.4980.551
Chi-1/Chi-2 rotamer normality1-0.520-0.776-0.613
Backbone conformation12.8272.8272.800
Bond length RMS Z-score20.2440.7650.752
Bond angle RMS Z-score20.5890.8800.855
Total number of bumps3242815
Unsatisfied H-bond donors/acceptors3163029
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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