Optimised PDB entry 1fba



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 86.600 Åb: 116.800 Åc: 151.580 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 103410Test set: 0 (0.0%)
Resolution range7.99 Å1.96 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17900.16080.13230.1324
R-freeNA0.15460.16140.1564
σR-free 0.00220.00230.0022
Z(R-free) 21.321.914.32

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1170.001-0.000
2nd generation packing quality1-1.347-1.130-0.858
Ramachandran plot appearance1-0.8600.1900.269
Chi-1/Chi-2 rotamer normality1-2.278-0.536-0.131
Backbone conformation1-0.642-0.582-0.587
Bond length RMS Z-score20.7290.6780.649
Bond angle RMS Z-score21.1320.8060.756
Total number of bumps31092414
Unsatisfied H-bond donors/acceptors3928868
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 residues141
Significantly deteriorated residues0
Changes of all residuesPlot

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