Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.15930.15970.16310.1667
R-free0.19360.19330.19010.1953
σR-free 0.00550.00540.0055
Z(R-free) -0.151.201.04

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0860.094-0.006
2nd generation packing quality1-0.894-0.759-0.603
Ramachandran plot appearance1-0.391-0.137-0.135
Chi-1/Chi-2 rotamer normality1-0.3730.2200.324
Backbone conformation10.4320.2290.196
Bond length RMS Z-score20.8860.4140.418
Bond angle RMS Z-score20.9670.6760.665
Total number of bumps3573731
Unsatisfied H-bond donors/acceptors3201611
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 residues3
Significantly deteriorated residues14
Changes of all residuesPlot

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