Optimised PDB entry 4p01



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 68.144 Åb: 68.386 Åc: 87.685 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.07 Å

Experimental data
ReflectionsAll: 25499Test set: 1303 (5.1%)
Resolution range25.07 Å2.07 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18600.19020.17480.1705
R-free0.22800.22730.20240.2006
σR-free 0.00630.00560.0056
Z(R-free) 0.972.161.54

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0790.0990.489
2nd generation packing quality10.4960.5041.247
Ramachandran plot appearance1-0.1600.3520.448
Chi-1/Chi-2 rotamer normality1-1.856-1.239-1.143
Backbone conformation10.7440.7130.714
Bond length RMS Z-score20.8490.7810.781
Bond angle RMS Z-score20.8360.8080.816
Total number of bumps3272520
Unsatisfied H-bond donors/acceptors38913
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 residues19
Significantly deteriorated residues0
Changes of all residuesPlot

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