PDB entry 4j2i



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 72.400 Åb: 27.945 Åc: 159.715 Å
α: 90.00°β: 103.10°γ: 90.00°
Resolution2.98 Å

Experimental data
ReflectionsAll: 6662Test set: 0 (0.0%)
Resolution range26.50 Å2.98 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.27000.26310.26310.3232
R-free0.28700.29540.29540.3789
σR-free 0.0114NA0.0147
Z(R-free) 1.78NA0.61

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1NANANA
2nd generation packing quality1NANANA
Ramachandran plot appearance1NANANA
Chi-1/Chi-2 rotamer normality1NANANA
Backbone conformation1NANANA
Bond length RMS Z-score20.7480.7530.331
Bond angle RMS Z-score20.7850.7850.678
Total number of bumps3838357
Unsatisfied H-bond donors/acceptors3000
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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