Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.21100.21220.21830.2150
R-free0.26100.25900.25260.2468
σR-free 0.00490.00470.0046
Z(R-free) -2.060.721.15

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3430.4280.461
2nd generation packing quality1-0.869-0.391-0.198
Ramachandran plot appearance1-2.651-0.685-0.265
Chi-1/Chi-2 rotamer normality1-5.225-3.318-2.307
Backbone conformation10.1880.2110.210
Bond length RMS Z-score20.3430.4140.411
Bond angle RMS Z-score20.6450.6620.652
Total number of bumps32284037
Unsatisfied H-bond donors/acceptors3979173
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 residues8
Significantly deteriorated residues2
Changes of all residuesPlot

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