Optimised PDB entry 4i5b



Structure
SpacegroupC 2 2 21
Cell dimensionsa: 95.811 Åb: 111.381 Åc: 211.544 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.12 Å

Experimental data
ReflectionsAll: 58721Test set: 2967 (5.1%)
Resolution range49.28 Å2.12 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19900.21040.19030.1883
R-free0.23700.24050.22030.2187
σR-free 0.00440.00400.0040
Z(R-free) 4.303.583.35

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3180.2750.301
2nd generation packing quality1-0.726-0.622-0.668
Ramachandran plot appearance10.8201.0361.074
Chi-1/Chi-2 rotamer normality1-1.526-1.667-1.693
Backbone conformation10.6970.6880.674
Bond length RMS Z-score20.3700.7760.763
Bond angle RMS Z-score20.6000.8770.873
Total number of bumps3592731
Unsatisfied H-bond donors/acceptors3272831
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 residues63
Significantly deteriorated residues0
Changes of all residuesPlot

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