PDB entry 4buz



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 46.750 Åb: 59.920 Åc: 109.030 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 24821Test set: 1241 (5.0%)
Resolution range40.32 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15930.15960.15960.1789
R-free0.19360.19330.19330.2059
σR-free 0.0055NA0.0058
R-free Z-score -0.16NA1.69

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0860.0850.055
2nd generation packing quality1-0.894-0.893-0.808
Ramachandran plot appearance1-0.391-0.388-0.642
Chi-1/Chi-2 rotamer normality1-0.373-0.373-0.077
Backbone conformation10.4320.4320.382
Bond length RMS Z-score20.8860.8860.582
Bond angle RMS Z-score20.9670.9670.739
Total number of bumps3575747
Unsatisfied H-bond donors/acceptors3102018
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 residues11
Significantly deteriorated residues3444
Changes of all residuesPlot Plot

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