Optimised PDB entry 1sje



Warnings!

Structure
SpacegroupH 3
Cell dimensionsa: 172.746 Åb: 172.746 Åc: 121.399 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.45 Å

Experimental data
ReflectionsAll: 49701Test set: 4984 (10.0%)
Resolution range19.82 Å2.45 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19600.19650.17120.1691
R-free0.22300.21800.19710.1960
σR-free 0.00310.00280.0028
Z(R-free) 7.975.114.57

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.168-0.246-0.186
2nd generation packing quality1-1.478-1.279-1.106
Ramachandran plot appearance1-1.882-0.503-0.411
Chi-1/Chi-2 rotamer normality1-2.675-2.560-2.159
Backbone conformation10.2470.2010.347
Bond length RMS Z-score20.3000.5090.496
Bond angle RMS Z-score20.6230.7440.712
Total number of bumps3772625
Unsatisfied H-bond donors/acceptors3282423
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 residues196
Significantly deteriorated residues0
Changes of all residuesPlot

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