PDB entry 3s8r



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 225.386 Åb: 68.806 Åc: 112.756 Å
α: 90.00°β: 97.51°γ: 90.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 59273Test set: 2994 (5.1%)
Resolution range28.00 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15300.15500.15390.1550
R-free0.20000.19940.18780.1899
σR-free 0.00360.00340.0035
Z(R-free) 4.647.887.49

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.482-0.455-0.447
2nd generation packing quality1-0.882-0.789-0.733
Ramachandran plot appearance1-0.920-0.438-0.457
Chi-1/Chi-2 rotamer normality1-0.7800.0130.408
Backbone conformation1-0.404-0.355-0.347
Bond length RMS Z-score20.4540.3340.330
Bond angle RMS Z-score20.6150.5850.579
Total number of bumps3175135123
Unsatisfied H-bond donors/acceptors3667373
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 residues4
Significantly deteriorated residues2
Changes of all residuesPlot

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