Optimised PDB entry 4bi1



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 70.910 Åb: 111.820 Åc: 113.570 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 12740Test set: 624 (4.9%)
Resolution range56.78 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18770.20410.20410.1777
R-free0.22830.23040.23040.2261
σR-free 0.0092NA0.0091
Z(R-free) 1.58NA-1.42

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1NANA0.467
2nd generation packing quality1NANA0.137
Ramachandran plot appearance1-0.340-0.341-0.446
Chi-1/Chi-2 rotamer normality1-3.669-3.669-2.774
Backbone conformation10.1570.1570.079
Bond length RMS Z-score20.6540.6540.570
Bond angle RMS Z-score20.9660.9660.775
Total number of bumps3202022
Unsatisfied H-bond donors/acceptors3181716
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 residues85
Significantly deteriorated residues0
Changes of all residuesPlot

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