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
R0.21100.21250.21170.2082
R-free0.26100.25880.25160.2446
σR-free 0.00480.00470.0046
Z(R-free) -2.00-0.70-0.09

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.2010.2580.315
2nd generation packing quality1-0.941-0.606-0.377
Ramachandran plot appearance1-2.914-1.101-0.852
Chi-1/Chi-2 rotamer normality1-5.351-3.965-2.914
Backbone conformation1-0.250-0.164-0.219
Bond length RMS Z-score20.3430.4890.488
Bond angle RMS Z-score20.6450.7420.725
Total number of bumps32287180
Unsatisfied H-bond donors/acceptors3919082
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 residues15
Significantly deteriorated residues0
Changes of all residuesPlot

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