Optimised PDB entry 2f4j



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 44.768 Åb: 59.417 Åc: 66.896 Å
α: 90.00°β: 98.42°γ: 90.00°
Resolution1.91 Å

Experimental data
ReflectionsAll: 24713Test set: 1696 (6.9%)
Resolution range44.29 Å1.91 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20700.19980.18060.1779
R-free0.23900.23420.21950.2195
σR-free 0.00580.00550.0055
Z(R-free) 2.170.650.04

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.717-0.749-0.736
2nd generation packing quality1-0.1380.0450.033
Ramachandran plot appearance1-1.701-1.183-1.149
Chi-1/Chi-2 rotamer normality1-2.869-2.496-2.179
Backbone conformation1-0.605-0.508-0.564
Bond length RMS Z-score20.2730.6560.650
Bond angle RMS Z-score20.6080.8070.794
Total number of bumps3281113
Unsatisfied H-bond donors/acceptors31088
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 residues43
Significantly deteriorated residues0
Changes of all residuesPlot

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