Optimised PDB entry 1b57



Structure
SpacegroupP 31 2 1
Cell dimensionsa: 78.237 Åb: 78.237 Åc: 289.687 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 53840Test set: 2691 (5.0%)
Resolution range29.25 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19200.17020.14730.1438
R-free0.23000.20570.17420.1697
σR-free 0.00400.00340.0033
Z(R-free) 0.431.561.70

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.317-0.1380.096
2nd generation packing quality1-1.435-1.160-0.607
Ramachandran plot appearance1-1.670-0.588-0.433
Chi-1/Chi-2 rotamer normality1-2.718-0.688-0.612
Backbone conformation1-0.654-0.656-0.553
Bond length RMS Z-score20.6430.6790.651
Bond angle RMS Z-score21.4250.8460.822
Total number of bumps3662525
Unsatisfied H-bond donors/acceptors3262928
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 residues216
Significantly deteriorated residues1
Changes of all residuesPlot

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