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
R0.15930.15970.16230.1635
R-free0.19360.19330.18950.1931
σR-free 0.00550.00540.0055
Z(R-free) -0.151.150.73

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.9540.9750.944
2nd generation packing quality1-0.894-0.763-0.669
Ramachandran plot appearance1-0.328-0.325-0.300
Chi-1/Chi-2 rotamer normality1-0.577-0.211-0.267
Backbone conformation13.3193.2483.303
Bond length RMS Z-score20.8860.5430.532
Bond angle RMS Z-score20.9670.7640.739
Total number of bumps3432119
Unsatisfied H-bond donors/acceptors3252313
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 residues0
Significantly deteriorated residues6
Changes of all residuesPlot

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