PDB entry 4fbu



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 52.774 Åb: 181.458 Åc: 52.744 Å
α: 90.00°β: 109.49°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 25794Test set: 1324 (5.1%)
Resolution range31.24 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21700.22150.22150.2511
R-free0.26100.27120.27120.2981
σR-free 0.0075NA0.0082
R-free Z-score -1.33NA-0.24

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.098-0.099-0.088
2nd generation packing quality1-0.929-0.930-0.664
Ramachandran plot appearance1-2.802-2.805-2.323
Chi-1/Chi-2 rotamer normality1-3.108-3.110-3.245
Backbone conformation1-0.267-0.267-0.556
Bond length RMS Z-score20.4910.4910.648
Bond angle RMS Z-score20.8060.8060.828
Total number of bumps3183185165
Unsatisfied H-bond donors/acceptors3747458
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues110
Significantly deteriorated residues50234
Changes of all residuesPlot Plot

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