PDB entry 4j2e



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 74.989 Åb: 120.502 Åc: 130.763 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.02 Å

Experimental data
ReflectionsAll: 76184Test set: 3850 (5.1%)
Resolution range44.31 Å2.02 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17900.17500.17500.1755
R-free0.21300.20710.20710.2129
σR-free 0.0033NA0.0034
Z(R-free) 2.70NA1.09

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.127-0.127-0.209
2nd generation packing quality1-0.911-0.915-0.928
Ramachandran plot appearance10.0720.074-0.076
Chi-1/Chi-2 rotamer normality1-0.367-0.371-0.433
Backbone conformation10.1840.1840.143
Bond length RMS Z-score20.3290.3290.507
Bond angle RMS Z-score20.5510.5510.723
Total number of bumps3434348
Unsatisfied H-bond donors/acceptors3373739
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 residues7
Significantly deteriorated residues2
Changes of all residuesPlot

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