Optimised PDB entry 4iwv



Structure
SpacegroupP 41
Cell dimensionsa: 77.938 Åb: 77.938 Åc: 85.350 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 28302Test set: 1450 (5.1%)
Resolution range33.74 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19900.20160.20720.2048
R-free0.25000.24660.24060.2411
σR-free 0.00650.00630.0063
Z(R-free) 1.293.412.84

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.1210.1530.144
2nd generation packing quality1-1.162-0.872-0.811
Ramachandran plot appearance1-2.016-0.572-0.472
Chi-1/Chi-2 rotamer normality1-4.010-2.721-2.132
Backbone conformation1-1.282-1.059-1.048
Bond length RMS Z-score20.7880.4800.474
Bond angle RMS Z-score20.9300.7320.707
Total number of bumps3421921
Unsatisfied H-bond donors/acceptors3211826
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 residues9
Significantly deteriorated residues4
Changes of all residuesPlot

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