Optimised PDB entry 3zln



Structure
SpacegroupP 41 21 2
Cell dimensionsa: 65.911 Åb: 65.911 Åc: 115.072 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.29 Å

Experimental data
ReflectionsAll: 11660Test set: 551 (4.7%)
Resolution range31.68 Å2.29 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18350.19860.19490.1957
R-free0.24650.25900.23570.2318
σR-free 0.01100.01000.0099
Z(R-free) -1.090.671.17

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.296-0.352-0.304
2nd generation packing quality10.2470.3440.558
Ramachandran plot appearance1-0.811-1.143-1.077
Chi-1/Chi-2 rotamer normality1-1.874-0.900-0.313
Backbone conformation1-1.630-1.898-1.861
Bond length RMS Z-score20.3170.4470.449
Bond angle RMS Z-score20.5320.6870.685
Total number of bumps3977
Unsatisfied H-bond donors/acceptors3787
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 residues0
Significantly deteriorated residues0
Changes of all residuesPlot

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