Optimised PDB entry 1fyt



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 142.902 Åb: 73.439 Åc: 122.428 Å
α: 90.00°β: 108.23°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 37159Test set: 1871 (5.0%)
Resolution range24.92 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22100.21980.18760.1842
R-free0.25500.24920.23130.2285
σR-free 0.00580.00530.0053
Z(R-free) 8.414.364.02

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1790.0960.102
2nd generation packing quality1-0.970-0.868-0.757
Ramachandran plot appearance1-1.440-0.522-0.448
Chi-1/Chi-2 rotamer normality1-2.904-2.702-2.101
Backbone conformation10.5530.6480.734
Bond length RMS Z-score20.3790.5440.539
Bond angle RMS Z-score20.7040.7780.767
Total number of bumps31423632
Unsatisfied H-bond donors/acceptors3535248
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 residues116
Significantly deteriorated residues1
Changes of all residuesPlot

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