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
R0.19200.17380.14850.1430
R-free0.23000.20820.17650.1712
σR-free 0.00280.00240.0023
R-free Z-score 1.291.881.35

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.316-0.1070.096
2nd generation packing quality1-1.144-0.785-0.416
Ramachandran plot appearance1-0.891-0.186-0.026
Chi-1/Chi-2 rotamer normality1-1.593-0.0430.292
Backbone conformation10.3790.5220.524
Bond length RMS Z-score20.6430.5950.557
Bond angle RMS Z-score21.4250.7600.728
Total number of bumps3905757
Unsatisfied H-bond donors/acceptors3312427
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

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