Optimised PDB entry 4j0h



Structure
SpacegroupP 1
Cell dimensionsa: 47.551 Åb: 62.960 Åc: 84.474 Å
α: 70.74°β: 85.18°γ: 79.55°
Resolution1.80 Å

Experimental data
ReflectionsAll: 82235Test set: 4104 (5.0%)
Resolution range19.68 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.14900.14540.14500.1444
R-free0.18300.17480.16940.1713
σR-free 0.00270.00260.0027
Z(R-free) 1.042.961.89

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.427-0.405-0.366
2nd generation packing quality1-1.133-1.116-1.075
Ramachandran plot appearance10.1120.3770.395
Chi-1/Chi-2 rotamer normality1-0.893-0.383-0.570
Backbone conformation1-0.588-0.560-0.558
Bond length RMS Z-score20.2780.5090.500
Bond angle RMS Z-score20.5290.7130.705
Total number of bumps3592522
Unsatisfied H-bond donors/acceptors3455053
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 residues14
Significantly deteriorated residues2
Changes of all residuesPlot

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