PDB entry 2oje



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 137.735 Åb: 179.555 Åc: 179.952 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 40671Test set: 2850 (7.0%)
Resolution range40.22 Å2.99 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21100.21320.18840.1833
R-free0.26100.25760.22800.2237
σR-free 0.00480.00430.0042
R-free Z-score -0.37-0.44-0.88

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3500.4310.489
2nd generation packing quality1-0.851-0.544-0.353
Ramachandran plot appearance1-2.332-1.157-0.682
Chi-1/Chi-2 rotamer normality1-3.610-2.677-1.442
Backbone conformation10.6390.6350.626
Bond length RMS Z-score20.3430.4060.390
Bond angle RMS Z-score20.6450.6640.633
Total number of bumps323689103
Unsatisfied H-bond donors/acceptors3918681
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues7624
Significantly deteriorated residues01
Changes of all residuesPlot Plot

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