Optimised PDB entry 2xn9



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 191.180 Åb: 48.890 Åc: 166.720 Å
α: 90.00°β: 113.55°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 61849Test set: 3148 (5.1%)
Resolution range42.16 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22150.22400.19460.1919
R-free0.27240.27490.23880.2362
σR-free 0.00490.00430.0042
Z(R-free) 2.552.532.40

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.269-0.132-0.125
2nd generation packing quality1-1.437-1.292-1.152
Ramachandran plot appearance1-0.777-0.154-0.238
Chi-1/Chi-2 rotamer normality1-4.577-3.338-2.674
Backbone conformation10.5910.6760.644
Bond length RMS Z-score20.5800.4950.497
Bond angle RMS Z-score20.7090.7150.714
Total number of bumps31105451
Unsatisfied H-bond donors/acceptors3675764
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 residues260
Significantly deteriorated residues2
Changes of all residuesPlot

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