Optimised PDB entry 4b3s



Warnings!

Structure
SpacegroupP 41 21 2
Cell dimensionsa: 401.150 Åb: 401.150 Åc: 173.640 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.15 Å

Experimental data
ReflectionsAll: 240081Test set: 0 (0.0%)
Resolution range39.65 Å3.15 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21040.21840.19840.1968
R-free0.24730.22120.23320.2327
σR-free 0.00200.00210.0021
Z(R-free) 20.452.331.67

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.810-1.686-1.669
2nd generation packing quality1-2.956-2.479-2.533
Ramachandran plot appearance1-6.044-4.328-4.029
Chi-1/Chi-2 rotamer normality1-4.099-4.182-4.132
Backbone conformation1-0.2760.2850.266
Bond length RMS Z-score20.4820.4630.460
Bond angle RMS Z-score20.7390.8630.861
Total number of bumps3239711001150
Unsatisfied H-bond donors/acceptors30392392
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 residues601
Significantly deteriorated residues15
Changes of all residuesPlot

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