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
R0.22100.21930.18540.1828
R-free0.25500.24880.22930.2277
σR-free 0.00580.00530.0053
Z(R-free) 8.384.173.81

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1690.1300.123
2nd generation packing quality1-0.935-0.818-0.655
Ramachandran plot appearance1-1.174-0.313-0.301
Chi-1/Chi-2 rotamer normality1-4.063-3.893-2.953
Backbone conformation10.7480.7380.728
Bond length RMS Z-score20.3790.5370.536
Bond angle RMS Z-score20.7040.7670.758
Total number of bumps31454845
Unsatisfied H-bond donors/acceptors3524643
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 residues155
Significantly deteriorated residues1
Changes of all residuesPlot

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