PDB entry 2xn9



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 191.180 Åb: 48.890 Åc: 166.720 Å
α: 90.00°β: 113.55°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 61849Test set: 3148 (5.1%)
Resolution range42.16 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22150.22110.19590.1933
R-free0.27240.27280.24060.2368
σR-free 0.00490.00430.0042
Z(R-free) 2.222.512.69

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.263-0.105-0.051
2nd generation packing quality1-1.448-1.285-1.049
Ramachandran plot appearance1-0.966-0.557-0.602
Chi-1/Chi-2 rotamer normality1-3.171-2.292-1.745
Backbone conformation10.1970.4180.316
Bond length RMS Z-score20.5800.3930.392
Bond angle RMS Z-score20.7090.6270.624
Total number of bumps31307775
Unsatisfied H-bond donors/acceptors3655361
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 residues220
Significantly deteriorated residues2
Changes of all residuesPlot

Download

Links