Optimised PDB entry 2fo0



Structure
SpacegroupP 21 21 2
Cell dimensionsa: 79.688 Åb: 117.266 Åc: 60.416 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.27 Å

Experimental data
ReflectionsAll: 24360Test set: 1657 (6.8%)
Resolution range48.14 Å2.26 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21000.20970.18580.1844
R-free0.24600.24380.23280.2300
σR-free 0.00600.00570.0057
Z(R-free) 5.802.462.63

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.167-1.131-1.067
2nd generation packing quality1-0.985-0.572-0.469
Ramachandran plot appearance1-2.436-0.929-1.033
Chi-1/Chi-2 rotamer normality1-2.328-2.130-1.672
Backbone conformation1-0.613-0.633-0.605
Bond length RMS Z-score20.2950.4690.463
Bond angle RMS Z-score20.6230.6850.679
Total number of bumps3361412
Unsatisfied H-bond donors/acceptors3202224
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 residues63
Significantly deteriorated residues1
Changes of all residuesPlot

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