Optimised PDB entry 1jc5



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 55.985 Åb: 114.020 Åc: 156.418 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 50033Test set: 5042 (10.1%)
Resolution range14.98 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.24800.24690.22070.2155
R-free0.29300.29190.24920.2433
σR-free 0.00410.00350.0034
Z(R-free) 7.0010.6910.74

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0700.3500.407
2nd generation packing quality1-0.521-0.0820.106
Ramachandran plot appearance1-1.3070.8480.848
Chi-1/Chi-2 rotamer normality1-2.566-1.155-0.248
Backbone conformation10.6400.7580.667
Bond length RMS Z-score20.3020.7410.714
Bond angle RMS Z-score20.6760.9480.917
Total number of bumps31403933
Unsatisfied H-bond donors/acceptors3535155
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 residues70
Significantly deteriorated residues0
Changes of all residuesPlot

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