PDB entry 4bri



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 62.457 Åb: 86.411 Åc: 72.186 Å
α: 90.00°β: 106.53°γ: 90.00°
Resolution1.75 Å

Experimental data
ReflectionsAll: 73253Test set: 1073 (1.5%)
Resolution range29.06 Å1.75 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16370.15800.15800.1684
R-free0.18450.17560.17560.1798
σR-free 0.0054NA0.0055
R-free Z-score 2.37NA3.82

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.162-0.162-0.177
2nd generation packing quality1-1.721-1.723-1.790
Ramachandran plot appearance1-0.389-0.3880.085
Chi-1/Chi-2 rotamer normality1-1.313-1.312-0.505
Backbone conformation1-0.041-0.0520.001
Bond length RMS Z-score20.9480.9480.556
Bond angle RMS Z-score20.9220.9220.722
Total number of bumps3585848
Unsatisfied H-bond donors/acceptors3306234
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 residues01
Significantly deteriorated residues2787
Changes of all residuesPlot Plot

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