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 conservative optimisationAfter full optimisation
R0.19200.17030.14390.1401
R-free0.23000.20640.17390.1679
σR-free 0.00400.00340.0032
Z(R-free) 0.300.440.87

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.316-0.1410.047
2nd generation packing quality1-1.171-0.966-0.505
Ramachandran plot appearance1-1.120-0.300-0.154
Chi-1/Chi-2 rotamer normality1-1.720-0.088-0.038
Backbone conformation10.1450.1830.304
Bond length RMS Z-score20.6430.6740.640
Bond angle RMS Z-score21.4250.8170.790
Total number of bumps3904947
Unsatisfied H-bond donors/acceptors3313740
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 residues303
Significantly deteriorated residues1
Changes of all residuesPlot

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