PDB entry 4k93



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 81.438 Åb: 91.184 Åc: 92.292 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 109066Test set: 5468 (5.0%)
Resolution range41.17 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19400.18310.18310.2021
R-free0.22200.21130.21130.2245
σR-free 0.0029NA0.0030
R-free Z-score -0.79NA2.07

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.286-0.284-0.311
2nd generation packing quality1-1.410-1.398-1.345
Ramachandran plot appearance10.4180.4180.416
Chi-1/Chi-2 rotamer normality1-0.681-0.681-0.693
Backbone conformation10.1980.1980.162
Bond length RMS Z-score20.4270.4270.582
Bond angle RMS Z-score20.6490.6490.773
Total number of bumps3373740
Unsatisfied H-bond donors/acceptors3292940
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 residues751
Significantly deteriorated residues2038
Changes of all residuesPlot Plot

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