Optimised PDB entry 4j2i



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 72.400 Åb: 27.945 Åc: 159.715 Å
α: 90.00°β: 103.10°γ: 90.00°
Resolution2.98 Å

Experimental data
ReflectionsAll: 6662Test set: 0 (0.0%)
Resolution range26.50 Å2.98 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.27000.26640.26640.3431
R-free0.28700.26380.26380.3661
σR-free 0.0100NA0.0139
Z(R-free) 5.59NA3.28

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1NANANA
2nd generation packing quality1NANANA
Ramachandran plot appearance1NANANA
Chi-1/Chi-2 rotamer normality1NANANA
Backbone conformation1NANANA
Bond length RMS Z-score20.7480.7530.376
Bond angle RMS Z-score20.7850.7850.608
Total number of bumps3777760
Unsatisfied H-bond donors/acceptors3000
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 residues5
Significantly deteriorated residues6
Changes of all residuesPlot

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