Optimised PDB entry 3zls



Warnings!

Structure
SpacegroupP 61 2 2
Cell dimensionsa: 76.683 Åb: 76.683 Åc: 221.983 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 14176Test set: 0 (0.0%)
Resolution range110.99 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19200.21440.20680.2040
R-free0.23370.21230.24930.2519
σR-free 0.00660.00780.0078
Z(R-free) 12.274.313.49

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.596-0.496-0.641
2nd generation packing quality1-0.357-0.238-0.285
Ramachandran plot appearance1-1.334-0.570-0.699
Chi-1/Chi-2 rotamer normality1-3.103-0.548-0.983
Backbone conformation1-0.854-0.733-0.843
Bond length RMS Z-score20.6810.4010.414
Bond angle RMS Z-score20.9560.6300.624
Total number of bumps31274
Unsatisfied H-bond donors/acceptors3151217
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 residues15
Significantly deteriorated residues9
Changes of all residuesPlot

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