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
R0.22100.21980.18770.1844
R-free0.25500.24920.23130.2285
σR-free 0.00580.00530.0053
Z(R-free) 8.414.384.06

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1010.0750.084
2nd generation packing quality1-0.980-0.868-0.732
Ramachandran plot appearance1-1.218-0.261-0.209
Chi-1/Chi-2 rotamer normality1-4.110-4.023-3.270
Backbone conformation10.4680.5380.528
Bond length RMS Z-score20.3790.5460.539
Bond angle RMS Z-score20.7040.7790.766
Total number of bumps31454436
Unsatisfied H-bond donors/acceptors3524944
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 residues111
Significantly deteriorated residues1
Changes of all residuesPlot

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