PDB entry 3bpt



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 44.096 Åb: 76.642 Åc: 55.789 Å
α: 90.00°β: 108.24°γ: 90.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 46946Test set: 2334 (5.0%)
Resolution range28.77 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.14700.14550.14850.1535
R-free0.19700.19250.19070.1929
σR-free 0.00400.00390.0040
Z(R-free) -5.40-4.15-3.15

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.479-0.491-0.380
2nd generation packing quality1-1.863-1.937-1.608
Ramachandran plot appearance10.0630.1560.251
Chi-1/Chi-2 rotamer normality10.2070.4480.433
Backbone conformation1-0.667-0.656-0.673
Bond length RMS Z-score20.7490.5240.545
Bond angle RMS Z-score20.7870.7130.718
Total number of bumps3413329
Unsatisfied H-bond donors/acceptors3212323
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 residues5
Significantly deteriorated residues14
Changes of all residuesPlot

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